N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

C18H24ClN3O2 — CID 119589991

IUPACN-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc(-c2ccccc2)on1)C1CCCCC1
InChIInChI=1S/C18H23N3O2.ClH/c19-12-16(13-7-3-1-4-8-13)20-18(22)15-11-17(23-21-15)14-9-5-2-6-10-14;/h2,5-6,9-11,13,16H,1,3-4,7-8,12,19H2,(H,20,22);1H
InChIKeyJMUYUSPFJGPCMK-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.40
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119589991) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119589991
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc(-c2ccccc2)on1)C1CCCCC1
InChIInChI=1S/C18H23N3O2.ClH/c19-12-16(13-7-3-1-4-8-13)20-18(22)15-11-17(23-21-15)14-9-5-2-6-10-14;/h2,5-6,9-11,13,16H,1,3-4,7-8,12,19H2,(H,20,22);1H
InChIKeyJMUYUSPFJGPCMK-UHFFFAOYSA-N
XLogP3.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
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CID 119616138
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 166249987
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119589991) is N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cc(-c2ccccc2)on1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is JMUYUSPFJGPCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c19-12-16(13-7-3-1-4-8-13)20-18(22)15-11-17(23-21-15)14-9-5-2-6-10-14;/h2,5-6,9-11,13,16H,1,3-4,7-8,12,19H2,(H,20,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.40, 5 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)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119589991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).