3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide

C11H11N3O2 — CID 62902054

IUPAC3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1c(N)cccc1C(=O)Nc1cnoc1
InChIInChI=1S/C11H11N3O2/c1-7-9(3-2-4-10(7)12)11(15)14-8-5-13-16-6-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyXBXIBSYUFAKRAR-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.82
Rot. Bonds2

About 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide

3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 62902054) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
PubChem CID62902054
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCc1c(N)cccc1C(=O)Nc1cnoc1
InChIInChI=1S/C11H11N3O2/c1-7-9(3-2-4-10(7)12)11(15)14-8-5-13-16-6-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyXBXIBSYUFAKRAR-UHFFFAOYSA-N
XLogP1.82
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.82
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-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220
6-amino-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62914715
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
CID 71797723
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
2-fluoro-5-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62904514

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide (CID 62902054) is 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide is Cc1c(N)cccc1C(=O)Nc1cnoc1.
What is the InChIKey of 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is XBXIBSYUFAKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(3-2-4-10(7)12)11(15)14-8-5-13-16-6-8/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide?
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 217.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 62902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).