(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide

C17H25N5O2 — CID 124570295

IUPAC(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1c(C)noc1C
InChIInChI=1S/C17H25N5O2/c1-4-15(16-12(2)20-24-13(16)3)19-17(23)22-8-5-6-14(22)10-21-9-7-18-11-21/h7,9,11,14-15H,4-6,8,10H2,1-3H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyGECDWJOWFHLECL-HUUCEWRRSA-N
MW331.42 g/mol
LogP2.81
Rot. Bonds5

About (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 124570295) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID124570295
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1c(C)noc1C
InChIInChI=1S/C17H25N5O2/c1-4-15(16-12(2)20-24-13(16)3)19-17(23)22-8-5-6-14(22)10-21-9-7-18-11-21/h7,9,11,14-15H,4-6,8,10H2,1-3H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyGECDWJOWFHLECL-HUUCEWRRSA-N
XLogP2.81
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)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

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124570245
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea
CID 155956812
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704922
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
(2S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124609789
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95606132
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95341364
(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 124615062
(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 95765376
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
CID 91650901
1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 124609916
(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99710686

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 124570295) is (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1c(C)noc1C.
What is the InChIKey of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is GECDWJOWFHLECL-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15(16-12(2)20-24-13(16)3)19-17(23)22-8-5-6-14(22)10-21-9-7-18-11-21/h7,9,11,14-15H,4-6,8,10H2,1-3H3,(H,19,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124570295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).