1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one

C26H28N2O4 — CID 160977747

IUPAC1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one
SMILESCC(C)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C26H28N2O4/c1-17(2)20-4-3-5-21(12-20)26(31)28-15-22(29)13-23(28)24(30)11-8-18-6-9-19(10-7-18)25-14-27-16-32-25/h3-7,9-10,12,14,16-17,22-23,29H,8,11,13,15H2,1-2H3/t22-,23+/m1/s1
InChIKeySZCFMEBRDNXEDQ-PKTZIBPZSA-N
MW432.52 g/mol
LogP4.24
Rot. Bonds7

About 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one

1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one (PubChem CID 160977747) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one
PubChem CID160977747
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one
SMILESCC(C)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C26H28N2O4/c1-17(2)20-4-3-5-21(12-20)26(31)28-15-22(29)13-23(28)24(30)11-8-18-6-9-19(10-7-18)25-14-27-16-32-25/h3-7,9-10,12,14,16-17,22-23,29H,8,11,13,15H2,1-2H3/t22-,23+/m1/s1
InChIKeySZCFMEBRDNXEDQ-PKTZIBPZSA-N
XLogP4.24
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-1-[(2S,4R)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)pyrrolidin-2-yl]propan-1-one
CID 159076231
3-(4-chlorophenyl)-1-[(2S,4R)-4-hydroxy-1-[3-(1H-imidazol-2-yl)benzoyl]pyrrolidin-2-yl]propan-1-one
CID 158914881
(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 157327584
3-(4-chlorophenyl)-1-[(2S,4R)-4-hydroxy-1-(1H-indazole-5-carbonyl)pyrrolidin-2-yl]propan-1-one
CID 160753900
(2S)-2-amino-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 158052429
2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
CID 167654418
benzyl (2S,4R)-4-hydroxy-2-[[4-(1,3-oxazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 146096092
[1-[4-hydroxy-2-[[4-(1,3-oxazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl] ethanimidate
CID 123550997
(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122529065
(2R)-1-[(2S,4R)-4-hydroxy-2-[3-(6-phenyl-3-pyridinyl)propanoyl]pyrrolidin-1-yl]-2-methylpentane-1,4-dione
CID 160717308
2-[4-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]phenoxy]butoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1,3-oxazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 149216106
(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(1,3-oxazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 167556500

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one?
The IUPAC name of 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one (CID 160977747) is 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one is CC(C)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnco3)cc2)c1.
What is the InChIKey of 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one?
The InChIKey is SZCFMEBRDNXEDQ-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17(2)20-4-3-5-21(12-20)26(31)28-15-22(29)13-23(28)24(30)11-8-18-6-9-19(10-7-18)25-14-27-16-32-25/h3-7,9-10,12,14,16-17,22-23,29H,8,11,13,15H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one?
1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one has a molecular weight of 432.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-hydroxy-1-(3-propan-2-ylbenzoyl)pyrrolidin-2-yl]-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 160977747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).