(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C15H18N4O3 — CID 98754040

IUPAC(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2noc(CN3C[C@H](O)C[C@H]3C(N)=O)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9-3-2-4-10(5-9)15-17-13(22-18-15)8-19-7-11(20)6-12(19)14(16)21/h2-5,11-12,20H,6-8H2,1H3,(H2,16,21)/t11-,12+/m1/s1
InChIKeyHFLORROLUAKDEX-NEPJUHHUSA-N
MW302.33 g/mol
LogP0.47
Rot. Bonds4

About (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 98754040) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID98754040
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2noc(CN3C[C@H](O)C[C@H]3C(N)=O)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9-3-2-4-10(5-9)15-17-13(22-18-15)8-19-7-11(20)6-12(19)14(16)21/h2-5,11-12,20H,6-8H2,1H3,(H2,16,21)/t11-,12+/m1/s1
InChIKeyHFLORROLUAKDEX-NEPJUHHUSA-N
XLogP0.47
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-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

(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119913908
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
(3S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040166
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904127
3-(3-methylphenyl)-5-[(3-methyl-1,2,4-triazol-4-yl)methyl]-1,2,4-oxadiazole
CID 110167726
5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(thiophen-2-ylmethyl)pyrrolidin-3-ol
CID 74506797
4-hydroxy-1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351352
(3R,5S)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 26743854
(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120963302
[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
N-hydroxy-4-[[(2R,4R)-4-hydroxy-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzeneamine oxide
CID 163157870

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 98754040) is (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is Cc1cccc(-c2noc(CN3C[C@H](O)C[C@H]3C(N)=O)n2)c1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HFLORROLUAKDEX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-3-2-4-10(5-9)15-17-13(22-18-15)8-19-7-11(20)6-12(19)14(16)21/h2-5,11-12,20H,6-8H2,1H3,(H2,16,21)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 98754040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).