1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one

C23H23NO2 — CID 170130807

IUPAC1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one
SMILESCCCCC(=O)[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C23H23NO2/c1-2-3-14-20(25)18-15-19(18)23-24-21(16-10-6-4-7-11-16)22(26-23)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19-/m0/s1
InChIKeyQGGHKJXAFNNFIT-OALUTQOASA-N
MW345.44 g/mol
LogP5.87
Rot. Bonds7

About 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one

1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one (PubChem CID 170130807) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one
PubChem CID170130807
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one
SMILESCCCCC(=O)[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C23H23NO2/c1-2-3-14-20(25)18-15-19(18)23-24-21(16-10-6-4-7-11-16)22(26-23)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19-/m0/s1
InChIKeyQGGHKJXAFNNFIT-OALUTQOASA-N
XLogP5.87
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxaprozin
CID 4614
Darglitazone
CID 60870
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033
Dimethyl 4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)benzylmalonate
CID 6918417
2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 9866203
2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402
(3E)-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-propoxyiminobutanoic acid
CID 11751301
Diethyl 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylmalonate
CID 11797860
(3E)-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-(2-methylpropoxyimino)butanoic acid
CID 25263403

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one?
The IUPAC name of 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one (CID 170130807) is 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one.
What is the SMILES notation for 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one?
The canonical SMILES for 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one is CCCCC(=O)[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one?
The InChIKey is QGGHKJXAFNNFIT-OALUTQOASA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-3-14-20(25)18-15-19(18)23-24-21(16-10-6-4-7-11-16)22(26-23)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one?
1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one has a molecular weight of 345.44 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopropyl]pentan-1-one is sourced from PubChem (CID 170130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).