N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C17H29N3O2 — CID 119589284

IUPACN-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(CN)C2CCCCC2)on1
InChIInChI=1S/C17H29N3O2/c1-3-12(4-2)14-10-16(22-20-14)17(21)19-15(11-18)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11,18H2,1-2H3,(H,19,21)
InChIKeyHJMNVENPRMWXTJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.22
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 119589284) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID119589284
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NC(CN)C2CCCCC2)on1
InChIInChI=1S/C17H29N3O2/c1-3-12(4-2)14-10-16(22-20-14)17(21)19-15(11-18)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11,18H2,1-2H3,(H,19,21)
InChIKeyHJMNVENPRMWXTJ-UHFFFAOYSA-N
XLogP3.22
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-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-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119617392
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
CID 119590238
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
2-amino-N-(1-cyclohexylpropyl)-1,3-oxazole-5-carboxamide
CID 167984557
N-(2-amino-1-cyclohexylethyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 119592125
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
N-(2-methylpiperidin-4-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 120599366
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
N-(2-amino-1-cyclohexylethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119590638
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 119589284) is N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NC(CN)C2CCCCC2)on1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is HJMNVENPRMWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-12(4-2)14-10-16(22-20-14)17(21)19-15(11-18)13-8-6-5-7-9-13/h10,12-13,15H,3-9,11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119589284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).