1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one

C21H28N2O3 — CID 101390519

IUPAC1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
SMILESCC(C)[C@H]1COC(C(C)(C(=O)c2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H28N2O3/c1-13(2)16-11-25-19(22-16)21(5,18(24)15-9-7-6-8-10-15)20-23-17(12-26-20)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3/t16-,17-/m1/s1
InChIKeyYQGSNMHYRFMQKU-IAGOWNOFSA-N
MW356.47 g/mol
LogP3.78
Rot. Bonds6

About 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one

1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one (PubChem CID 101390519) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
PubChem CID101390519
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
SMILESCC(C)[C@H]1COC(C(C)(C(=O)c2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H28N2O3/c1-13(2)16-11-25-19(22-16)21(5,18(24)15-9-7-6-8-10-15)20-23-17(12-26-20)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3/t16-,17-/m1/s1
InChIKeyYQGSNMHYRFMQKU-IAGOWNOFSA-N
XLogP3.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one with MolForge

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Related Compounds

S-tert-butyl 3,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butanethioate
CID 134839604
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 70584316
2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654084
2,3-dibenzoyl-1,4-diphenyl-2-propan-2-ylbutane-1,4-dione
CID 67309998
4-propan-2-yl-2-[2-[4-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]piperazin-1-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101018695
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
CID 101359792
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155898661
(2R)-2-chloro-1,1-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethanolate
CID 101040563
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
2-methyl-2-(oxiran-2-ylmethyl)-1,3-diphenylpropane-1,3-dione
CID 150172119

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one (CID 101390519) is 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one is CC(C)[C@H]1COC(C(C)(C(=O)c2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is YQGSNMHYRFMQKU-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13(2)16-11-25-19(22-16)21(5,18(24)15-9-7-6-8-10-15)20-23-17(12-26-20)14(3)4/h6-10,13-14,16-17H,11-12H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one?
1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 101390519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).