(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C17H19ClFN3O2 — CID 95079928

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C17H19ClFN3O2/c1-10(2)14-9-16(24-21-14)15-4-3-7-22(15)17(23)20-11-5-6-13(19)12(18)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyAEUVPHLJMUXZKG-OAHLLOKOSA-N
MW351.81 g/mol
LogP4.96
Rot. Bonds3

About (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 95079928) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID95079928
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C17H19ClFN3O2/c1-10(2)14-9-16(24-21-14)15-4-3-7-22(15)17(23)20-11-5-6-13(19)12(18)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyAEUVPHLJMUXZKG-OAHLLOKOSA-N
XLogP4.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-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

(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
(2R)-N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070447
methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53009680
(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079858
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079952
(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95079977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 95079928) is (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is AEUVPHLJMUXZKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-10(2)14-9-16(24-21-14)15-4-3-7-22(15)17(23)20-11-5-6-13(19)12(18)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95079928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).