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

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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).