N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride

C14H22ClN3O2 — CID 119612272

IUPACN-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H21N3O2.ClH/c15-8-10-3-1-2-4-11(10)16-14(18)12-7-13(19-17-12)9-5-6-9;/h7,9-11H,1-6,8,15H2,(H,16,18);1H
InChIKeyIRVAMFDORCIWEU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119612272) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119612272
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H21N3O2.ClH/c15-8-10-3-1-2-4-11(10)16-14(18)12-7-13(19-17-12)9-5-6-9;/h7,9-11H,1-6,8,15H2,(H,16,18);1H
InChIKeyIRVAMFDORCIWEU-UHFFFAOYSA-N
XLogP2.22
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride 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-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclohexyl]-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609678
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395414
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
5-cyclopropyl-N-[(1R,2R)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739375
N-[2-(aminomethyl)cyclohexyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119611474
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
N-[2-(aminomethyl)cyclohexyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610815

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119612272) is N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is IRVAMFDORCIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c15-8-10-3-1-2-4-11(10)16-14(18)12-7-13(19-17-12)9-5-6-9;/h7,9-11H,1-6,8,15H2,(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119612272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).