N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide

C21H24N4O2 — CID 42786826

IUPACN-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cnc[nH]2)C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C21H24N4O2/c1-15-11-20(24-27-15)21(26)25(13-18-12-22-14-23-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-12,14,17,19H,7-10,13H2,1H3,(H,22,23)
InChIKeyMRNSLKQHBBSASH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.07
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide

N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 42786826) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID42786826
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cnc[nH]2)C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C21H24N4O2/c1-15-11-20(24-27-15)21(26)25(13-18-12-22-14-23-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-12,14,17,19H,7-10,13H2,1H3,(H,22,23)
InChIKeyMRNSLKQHBBSASH-UHFFFAOYSA-N
XLogP4.07
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-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

N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea
CID 51122102
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56962223
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide
CID 5074023
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829125
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide (CID 42786826) is N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cnc[nH]2)C2CCC(c3ccccc3)CC2)no1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MRNSLKQHBBSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-20(24-27-15)21(26)25(13-18-12-22-14-23-18)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-6,11-12,14,17,19H,7-10,13H2,1H3,(H,22,23).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42786826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).