1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

C13H16ClN3O2 — CID 119725949

IUPAC1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(N)CC3)ccc2o1.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-2-11-16-9-7-8(3-4-10(9)18-11)15-12(17)13(14)5-6-13;/h3-4,7H,2,5-6,14H2,1H3,(H,15,17);1H
InChIKeyWYJRSFBAVCKHGT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.24
Rot. Bonds3

About 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119725949) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119725949
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(N)CC3)ccc2o1.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-2-11-16-9-7-8(3-4-10(9)18-11)15-12(17)13(14)5-6-13;/h3-4,7H,2,5-6,14H2,1H3,(H,15,17);1H
InChIKeyWYJRSFBAVCKHGT-UHFFFAOYSA-N
XLogP2.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119748977
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120622699
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (CID 119725949) is 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is CCc1nc2cc(NC(=O)C3(N)CC3)ccc2o1.Cl.
What is the InChIKey of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WYJRSFBAVCKHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c1-2-11-16-9-7-8(3-4-10(9)18-11)15-12(17)13(14)5-6-13;/h3-4,7H,2,5-6,14H2,1H3,(H,15,17);1H.
What are the key properties of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.24, 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-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119725949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).