N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

C16H16FN3O3 — CID 25373635

IUPACN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H16FN3O3/c1-10-15(18-9-23-10)16(22)19-13-6-14(21)20(8-13)7-11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyZMDUKDUOXUSEEW-CYBMUJFWSA-N
MW317.32 g/mol
LogP1.65
Rot. Bonds4

About N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 25373635) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID25373635
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H16FN3O3/c1-10-15(18-9-23-10)16(22)19-13-6-14(21)20(8-13)7-11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyZMDUKDUOXUSEEW-CYBMUJFWSA-N
XLogP1.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide 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

N-(2-fluorobenzyl)-3-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}propanamide
CID 16191096
N-(((5R,8S)-3-(2,6-difluorophenyl)-9,9-dimethyl-5,6,7,8-tetrahydro-5,8-methanocinnolin-8-yl)methyl)-N-ethyl-5-methyloxazole-4-carboxamide
CID 134337549
N-(3,4-difluorobenzyl)-3-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}propanamide
CID 16191718
5-methyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]methyl}-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085707
1-(2,3-Difluorobenzyl)-4-{1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-3-pyrrolidinyl}piperidine
CID 45180685
7-(2,3-Difluorobenzyl)-2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45199806
N-{1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinyl}-5-methyl-1,3-oxazole-4-carboxamide
CID 45205102
N-(4'-fluoro-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]prolinamide
CID 45214830
1-(2,3-Difluorobenzyl)-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinyl}piperidine
CID 45246103
2,5-Dimethyl-N-{[4-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 53195147
5-Methyl-2-(propan-2-YL)-N-{[2-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 53195212
5-Methyl-2-(propan-2-YL)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 53195213

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 25373635) is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZMDUKDUOXUSEEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-15(18-9-23-10)16(22)19-13-6-14(21)20(8-13)7-11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25373635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).