(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C20H25N3O4 — CID 110304942

IUPAC(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)CC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H25N3O4/c1-13(15-6-8-16(26-3)9-7-15)11-19(24)23-10-4-5-17(23)20(25)21-18-12-14(2)27-22-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,22,25)/t13?,17-/m0/s1
InChIKeyMSDLIQMXAFUDOE-RUINGEJQSA-N
MW371.44 g/mol
LogP3.11
Rot. Bonds6

About (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110304942) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID110304942
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)CC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H25N3O4/c1-13(15-6-8-16(26-3)9-7-15)11-19(24)23-10-4-5-17(23)20(25)21-18-12-14(2)27-22-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,22,25)/t13?,17-/m0/s1
InChIKeyMSDLIQMXAFUDOE-RUINGEJQSA-N
XLogP3.11
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624664
(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 124655888
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-[4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110304947
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
1-(2-cyclopropylpropanoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624691
3-(4-methoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110305830
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)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304952
(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110353842
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-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110304942) is (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is COc1ccc(C(C)CC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is MSDLIQMXAFUDOE-RUINGEJQSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(15-6-8-16(26-3)9-7-15)11-19(24)23-10-4-5-17(23)20(25)21-18-12-14(2)27-22-18/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,22,25)/t13?,17-/m0/s1.
What are the key properties of (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110304942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).