[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C21H27N3O2 — CID 119892311

IUPAC[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(C)c1oc(C2CCCN2C(=O)C2CCNC2)nc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-18(15-7-4-3-5-8-15)23-20(26-19)17-9-6-12-24(17)21(25)16-10-11-22-13-16/h3-5,7-8,14,16-17,22H,6,9-13H2,1-2H3
InChIKeyFFMBQELAGHTMDA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.74
Rot. Bonds4

About [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119892311) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119892311
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(C)c1oc(C2CCCN2C(=O)C2CCNC2)nc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-18(15-7-4-3-5-8-15)23-20(26-19)17-9-6-12-24(17)21(25)16-10-11-22-13-16/h3-5,7-8,14,16-17,22H,6,9-13H2,1-2H3
InChIKeyFFMBQELAGHTMDA-UHFFFAOYSA-N
XLogP3.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone 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

[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 124823211
1-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95633427
1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95774688
3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 129468349
7-amino-1-[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119892274
(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 95784221
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785701

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119892311) is [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is CC(C)c1oc(C2CCCN2C(=O)C2CCNC2)nc1-c1ccccc1.
What is the InChIKey of [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is FFMBQELAGHTMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)19-18(15-7-4-3-5-8-15)23-20(26-19)17-9-6-12-24(17)21(25)16-10-11-22-13-16/h3-5,7-8,14,16-17,22H,6,9-13H2,1-2H3.
What are the key properties of [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 353.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119892311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).