(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide

C17H20FN3O2 — CID 92878286

IUPAC(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-3-15-16(11(2)20-23-15)14-8-5-9-21(14)17(22)19-13-7-4-6-12(18)10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyPICXSTXGTGCTNR-AWEZNQCLSA-N
MW317.36 g/mol
LogP4.05
Rot. Bonds3

About (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide

(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 92878286) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID92878286
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-3-15-16(11(2)20-23-15)14-8-5-9-21(14)17(22)19-13-7-4-6-12(18)10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyPICXSTXGTGCTNR-AWEZNQCLSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894306
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808694
(2S)-N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732732
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894338
(2-chloro-6-fluorophenyl)-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877766
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
N-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47001829
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 92878286) is (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide is CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is PICXSTXGTGCTNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-15-16(11(2)20-23-15)14-8-5-9-21(14)17(22)19-13-7-4-6-12(18)10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 92878286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).