N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

C12H18N2O3 — CID 55082649

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCCCC2)on1
InChIInChI=1S/C12H18N2O3/c1-9-7-10(17-14-9)11(16)13-12(8-15)5-3-2-4-6-12/h7,15H,2-6,8H2,1H3,(H,13,16)
InChIKeyRVPZZZYKFDVCAR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 55082649) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID55082649
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCCCC2)on1
InChIInChI=1S/C12H18N2O3/c1-9-7-10(17-14-9)11(16)13-12(8-15)5-3-2-4-6-12/h7,15H,2-6,8H2,1H3,(H,13,16)
InChIKeyRVPZZZYKFDVCAR-UHFFFAOYSA-N
XLogP1.41
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-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-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60968675
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61292644
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335560
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960
N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 123709647
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 55082649) is N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2(CO)CCCCC2)on1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is RVPZZZYKFDVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-10(17-14-9)11(16)13-12(8-15)5-3-2-4-6-12/h7,15H,2-6,8H2,1H3,(H,13,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55082649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).