5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide

C17H21N3O3 — CID 91776631

IUPAC5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O3/c1-12-9-18-16(19-12)17(21)20-14-11-22-8-7-15(14)23-10-13-5-3-2-4-6-13/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyOQTNEBVSZLWNOI-CABCVRRESA-N
MW315.37 g/mol
LogP1.82
Rot. Bonds5

About 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide

5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide (PubChem CID 91776631) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
PubChem CID91776631
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O3/c1-12-9-18-16(19-12)17(21)20-14-11-22-8-7-15(14)23-10-13-5-3-2-4-6-13/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyOQTNEBVSZLWNOI-CABCVRRESA-N
XLogP1.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-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

2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
CID 156609001
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide (CID 91776631) is 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)[nH]1.
What is the InChIKey of 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide?
The InChIKey is OQTNEBVSZLWNOI-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-9-18-16(19-12)17(21)20-14-11-22-8-7-15(14)23-10-13-5-3-2-4-6-13/h2-6,9,14-15H,7-8,10-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1.
What are the key properties of 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide?
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91776631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).