N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H20N4O3 — CID 76930043

IUPACN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=NO)CCC(C)CC2)on1
InChIInChI=1S/C13H20N4O3/c1-8-3-5-13(6-4-8,12(14)16-19)15-11(18)10-7-9(2)17-20-10/h7-8,19H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyJXWXKHCAOCSLMP-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 76930043) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID76930043
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=NO)CCC(C)CC2)on1
InChIInChI=1S/C13H20N4O3/c1-8-3-5-13(6-4-8,12(14)16-19)15-11(18)10-7-9(2)17-20-10/h7-8,19H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyJXWXKHCAOCSLMP-UHFFFAOYSA-N
XLogP1.41
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-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-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
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
2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
CID 107965125
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]pyridine-4-carboxamide
CID 77135272
3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 75446722
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61292644
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 76930043) is N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2(C(N)=NO)CCC(C)CC2)on1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JXWXKHCAOCSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-3-5-13(6-4-8,12(14)16-19)15-11(18)10-7-9(2)17-20-10/h7-8,19H,3-6H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 76930043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).