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

C17H22ClN3O2 — CID 119342258

IUPAC1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1
InChIInChI=1S/C17H21N3O2.ClH/c18-17(8-2-1-3-9-17)16(21)19-12-6-7-13-14(10-12)22-15(20-13)11-4-5-11;/h6-7,10-11H,1-5,8-9,18H2,(H,19,21);1H
InChIKeyXXZFFJYRCSZOKK-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.73
Rot. Bonds3

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

1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119342258) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119342258
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1
InChIInChI=1S/C17H21N3O2.ClH/c18-17(8-2-1-3-9-17)16(21)19-12-6-7-13-14(10-12)22-15(20-13)11-4-5-11;/h6-7,10-11H,1-5,8-9,18H2,(H,19,21);1H
InChIKeyXXZFFJYRCSZOKK-UHFFFAOYSA-N
XLogP3.73
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2-cyclopropyl-1,3-benzoxazol-6-yl)carbamoyl]cyclopropane-1-carboxylate
CID 99634320
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926785
1-amino-N-(2-benzyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342034
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
1-amino-N-(2H-benzotriazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119280142
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342235

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119342258) is 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XXZFFJYRCSZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c18-17(8-2-1-3-9-17)16(21)19-12-6-7-13-14(10-12)22-15(20-13)11-4-5-11;/h6-7,10-11H,1-5,8-9,18H2,(H,19,21);1H.
What are the key properties of 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119342258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).