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

C19H22FN3O3 — CID 110304965

IUPAC(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)Cc2ccccc2F)no1
InChIInChI=1S/C19H22FN3O3/c1-12(10-14-6-3-4-7-15(14)20)19(25)23-9-5-8-16(23)18(24)21-17-11-13(2)26-22-17/h3-4,6-7,11-12,16H,5,8-10H2,1-2H3,(H,21,22,24)/t12?,16-/m0/s1
InChIKeyJKTKUSPXDCWWJW-INSVYWFGSA-N
MW359.40 g/mol
LogP2.93
Rot. Bonds5

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

(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110304965) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID110304965
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)Cc2ccccc2F)no1
InChIInChI=1S/C19H22FN3O3/c1-12(10-14-6-3-4-7-15(14)20)19(25)23-9-5-8-16(23)18(24)21-17-11-13(2)26-22-17/h3-4,6-7,11-12,16H,5,8-10H2,1-2H3,(H,21,22,24)/t12?,16-/m0/s1
InChIKeyJKTKUSPXDCWWJW-INSVYWFGSA-N
XLogP2.93
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpropanoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624691
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110353842
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
(2S)-1-(2,4-dichlorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110284831
3-(2-fluorophenyl)-2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651746
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110304965) is (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)Cc2ccccc2F)no1.
What is the InChIKey of (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is JKTKUSPXDCWWJW-INSVYWFGSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(10-14-6-3-4-7-15(14)20)19(25)23-9-5-8-16(23)18(24)21-17-11-13(2)26-22-17/h3-4,6-7,11-12,16H,5,8-10H2,1-2H3,(H,21,22,24)/t12?,16-/m0/s1.
What are the key properties of (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110304965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).