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

C16H15N3O2 — CID 60945682

IUPAC4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1
InChIInChI=1S/C16H15N3O2/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)
InChIKeyRVUZYCUJLFQYFU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.22
Rot. Bonds3

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

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 60945682) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID60945682
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1
InChIInChI=1S/C16H15N3O2/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)
InChIKeyRVUZYCUJLFQYFU-UHFFFAOYSA-N
XLogP3.22
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.22
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;hydrochloride
CID 75526044
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
CID 63102295
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55957721
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
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)-3-methylpentanamide
CID 60944281
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
CID 60556890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide (CID 60945682) is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide is CCc1nc2cc(NC(=O)c3ccc(N)cc3)ccc2o1.
What is the InChIKey of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is RVUZYCUJLFQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/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).
What are the key properties of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide?
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 3.22, 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 is sourced from PubChem (CID 60945682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).