2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C17H20FN3O2 — CID 50808693

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11-16(12(2)23-20-11)15-4-3-9-21(15)17(22)19-10-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyBFJJMJJDTGUFDK-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 50808693) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID50808693
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11-16(12(2)23-20-11)15-4-3-9-21(15)17(22)19-10-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyBFJJMJJDTGUFDK-UHFFFAOYSA-N
XLogP3.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126423001
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50945289
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 126436399
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 119072941
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 126450301
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95057690
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 91653832
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 50808693) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is Cc1noc(C)c1C1CCCN1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BFJJMJJDTGUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-16(12(2)23-20-11)15-4-3-9-21(15)17(22)19-10-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).