1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride

C21H24ClN3O2 — CID 119342034

IUPAC1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CCCCC1
InChIInChI=1S/C21H23N3O2.ClH/c22-21(11-5-2-6-12-21)20(25)23-16-9-10-17-18(14-16)26-19(24-17)13-15-7-3-1-4-8-15;/h1,3-4,7-10,14H,2,5-6,11-13,22H2,(H,23,25);1H
InChIKeyJBWLDTRLQHQUKT-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.44
Rot. Bonds4

About 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119342034) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119342034
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CCCCC1
InChIInChI=1S/C21H23N3O2.ClH/c22-21(11-5-2-6-12-21)20(25)23-16-9-10-17-18(14-16)26-19(24-17)13-15-7-3-1-4-8-15;/h1,3-4,7-10,14H,2,5-6,11-13,22H2,(H,23,25);1H
InChIKeyJBWLDTRLQHQUKT-UHFFFAOYSA-N
XLogP4.44
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide
CID 71920645
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119280142
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119342034) is 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JBWLDTRLQHQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c22-21(11-5-2-6-12-21)20(25)23-16-9-10-17-18(14-16)26-19(24-17)13-15-7-3-1-4-8-15;/h1,3-4,7-10,14H,2,5-6,11-13,22H2,(H,23,25);1H.
What are the key properties of 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).