N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C17H20N2O2 — CID 1093785

IUPACN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20)
InChIKeyVOJTYLRKIQUAGT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.71
Rot. Bonds3

About N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093785) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093785
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20)
InChIKeyVOJTYLRKIQUAGT-UHFFFAOYSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bml-281
CID 24951314
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
(R)-N-(2,3-Dihydro-1H-inden-1-yl)-5-(4-(dimethylcarbamoyl)-3-hydroxyphenyl)isoxazole-3-carboxamide
CID 155925909
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52918271
N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-4-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 54586192
(R)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl)isoxazole-3-carboxamide
CID 90345378
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
tert-butyl N-[4-[3-[[4-(hydroxycarbamoyl)phenyl]methylcarbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate
CID 126648983
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093785) is N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VOJTYLRKIQUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-11-15(19-21-16)17(20)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).