3-(6-amino-1,3-benzoxazol-2-yl)benzamide

C14H11N3O2 — CID 95911825

IUPAC3-(6-amino-1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(N)cc3o2)c1
InChIInChI=1S/C14H11N3O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,15H2,(H2,16,18)
InChIKeyKCHFZIHOTCUJJD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds2

About 3-(6-amino-1,3-benzoxazol-2-yl)benzamide

3-(6-amino-1,3-benzoxazol-2-yl)benzamide (PubChem CID 95911825) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(6-amino-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(6-amino-1,3-benzoxazol-2-yl)benzamide
PubChem CID95911825
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(6-amino-1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(N)cc3o2)c1
InChIInChI=1S/C14H11N3O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,15H2,(H2,16,18)
InChIKeyKCHFZIHOTCUJJD-UHFFFAOYSA-N
XLogP2.18
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.18
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

3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
CID 23025706
3-aminobenzoic acid;3-(1,3-benzoxazol-2-yl)aniline
CID 142801816
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
(1Z)-1-[2-(3-aminophenyl)-1,3-benzoxazol-6-yl]buta-1,3-dien-1-ol
CID 142246987
3-(5-amino-1,3-benzoxazol-2-yl)phenol
CID 131880958
3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-6-amine
CID 100817959
3-[6-(2-oxoazetidin-1-yl)-1,3-benzoxazol-2-yl]benzoic acid
CID 11601984

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 3-(6-amino-1,3-benzoxazol-2-yl)benzamide (CID 95911825) is 3-(6-amino-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 3-(6-amino-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 3-(6-amino-1,3-benzoxazol-2-yl)benzamide is NC(=O)c1cccc(-c2nc3ccc(N)cc3o2)c1.
What is the InChIKey of 3-(6-amino-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is KCHFZIHOTCUJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,15H2,(H2,16,18).
What are the key properties of 3-(6-amino-1,3-benzoxazol-2-yl)benzamide?
3-(6-amino-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 253.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 95911825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).