1,2,2-Tris[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane - CAS 458563-75-2
Catalog: |
BB026005 |
Product Name: |
1,2,2-Tris[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane |
CAS: |
458563-75-2 |
Synonyms: |
(4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydrooxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydrooxazole; (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole |
IUPAC Name: | (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole |
Description: | 1,2,2-Tris[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane (CAS# 458563-75-2 ) is a useful research chemical. |
Molecular Weight: | 377.52 |
Molecular Formula: | C21H35N3O3 |
Canonical SMILES: | CC(C)C1COC(=N1)CC(C)(C2=NC(CO2)C(C)C)C3=NC(CO3)C(C)C |
InChI: | InChI=1S/C21H35N3O3/c1-12(2)15-9-25-18(22-15)8-21(7,19-23-16(10-26-19)13(3)4)20-24-17(11-27-20)14(5)6/h12-17H,8-11H2,1-7H3/t15-,16-,17-/m1/s1 |
InChI Key: | ZLJMXDGDZUSSDE-BRWVUGGUSA-N |
LogP: | 2.04950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 603 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.26784199 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.26784199 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 64.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Related Functional Groups
Oxazole/Thiazole
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