(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one

C21H25N3O3 — CID 97251025

IUPAC(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@@H]2CCCCN2C(=O)CCc2ncc(-c3ccccc3)o2)CN1
InChIInChI=1S/C21H25N3O3/c25-19-12-16(13-22-19)17-8-4-5-11-24(17)21(26)10-9-20-23-14-18(27-20)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,22,25)/t16-,17-/m0/s1
InChIKeyTUHQOGRBPLYMOS-IRXDYDNUSA-N
MW367.45 g/mol
LogP2.79
Rot. Bonds5

About (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one

(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one (PubChem CID 97251025) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one
PubChem CID97251025
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@@H]2CCCCN2C(=O)CCc2ncc(-c3ccccc3)o2)CN1
InChIInChI=1S/C21H25N3O3/c25-19-12-16(13-22-19)17-8-4-5-11-24(17)21(26)10-9-20-23-14-18(27-20)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,22,25)/t16-,17-/m0/s1
InChIKeyTUHQOGRBPLYMOS-IRXDYDNUSA-N
XLogP2.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
CID 124699566
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 97251422
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800394
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one (CID 97251025) is (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one is O=C1C[C@H]([C@@H]2CCCCN2C(=O)CCc2ncc(-c3ccccc3)o2)CN1.
What is the InChIKey of (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one?
The InChIKey is TUHQOGRBPLYMOS-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-12-16(13-22-19)17-8-4-5-11-24(17)21(26)10-9-20-23-14-18(27-20)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one?
(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 97251025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).