N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride

C11H18ClN3O2 — CID 119609735

IUPACN-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccon1
InChIInChI=1S/C11H17N3O2.ClH/c12-7-8-3-1-2-4-9(8)13-11(15)10-5-6-16-14-10;/h5-6,8-9H,1-4,7,12H2,(H,13,15);1H
InChIKeyMSLMTYKRVDXSDB-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.34
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119609735) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119609735
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccon1
InChIInChI=1S/C11H17N3O2.ClH/c12-7-8-3-1-2-4-9(8)13-11(15)10-5-6-16-14-10;/h5-6,8-9H,1-4,7,12H2,(H,13,15);1H
InChIKeyMSLMTYKRVDXSDB-UHFFFAOYSA-N
XLogP1.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272
N-(2-bromocyclohexyl)-1,2-oxazole-3-carboxamide
CID 114312088
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-[2-(aminomethyl)cyclohexyl]-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609678
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010
N-[2-(aminomethyl)cyclopentyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119603692
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride (CID 119609735) is N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccon1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is MSLMTYKRVDXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c12-7-8-3-1-2-4-9(8)13-11(15)10-5-6-16-14-10;/h5-6,8-9H,1-4,7,12H2,(H,13,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119609735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).