(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

C17H19N3O3 — CID 165139302

IUPAC(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ncco1
InChIInChI=1S/C17H19N3O3/c21-16(11-15-18-8-10-23-15)20-9-4-7-14(20)17(22)19-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H,19,22)/t14-/m0/s1
InChIKeyCRCJPWGAOAFSPG-AWEZNQCLSA-N
MW313.36 g/mol
LogP1.52
Rot. Bonds5

About (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165139302) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID165139302
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ncco1
InChIInChI=1S/C17H19N3O3/c21-16(11-15-18-8-10-23-15)20-9-4-7-14(20)17(22)19-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H,19,22)/t14-/m0/s1
InChIKeyCRCJPWGAOAFSPG-AWEZNQCLSA-N
XLogP1.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110625873
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 165139302) is (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Cc1ncco1.
What is the InChIKey of (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is CRCJPWGAOAFSPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(11-15-18-8-10-23-15)20-9-4-7-14(20)17(22)19-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).