4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride

C16H16ClN3O2 — CID 75526044

IUPAC4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1.Cl
InChIInChI=1S/C16H15N3O2.ClH/c1-2-15-19-13-9-12(7-8-14(13)21-15)18-16(20)10-3-5-11(17)6-4-10;/h3-9H,2,17H2,1H3,(H,18,20);1H
InChIKeyFRIHKVKCNOTKEV-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.65
Rot. Bonds3

About 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride (PubChem CID 75526044) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
PubChem CID75526044
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1.Cl
InChIInChI=1S/C16H15N3O2.ClH/c1-2-15-19-13-9-12(7-8-14(13)21-15)18-16(20)10-3-5-11(17)6-4-10;/h3-9H,2,17H2,1H3,(H,18,20);1H
InChIKeyFRIHKVKCNOTKEV-UHFFFAOYSA-N
XLogP3.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55957721
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
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 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride (CID 75526044) is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride is CCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1.Cl.
What is the InChIKey of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride?
The InChIKey is FRIHKVKCNOTKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.ClH/c1-2-15-19-13-9-12(7-8-14(13)21-15)18-16(20)10-3-5-11(17)6-4-10;/h3-9H,2,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride?
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 75526044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).