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

C11H11N3O2 — CID 62903600

IUPAC4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccon2)ccc1N
InChIInChI=1S/C11H11N3O2/c1-7-6-8(2-3-9(7)12)11(15)13-10-4-5-16-14-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyYGOHYNPVUBFPMR-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.82
Rot. Bonds2

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

4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 62903600) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
PubChem CID62903600
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccon2)ccc1N
InChIInChI=1S/C11H11N3O2/c1-7-6-8(2-3-9(7)12)11(15)13-10-4-5-16-14-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyYGOHYNPVUBFPMR-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

2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
3-hydroxy-4-methoxy-N-(1,2-oxazol-3-yl)benzamide
CID 79725967
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
5-(1,2-oxazol-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62904120
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide (CID 62903600) is 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide is Cc1cc(C(=O)Nc2ccon2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is YGOHYNPVUBFPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-6-8(2-3-9(7)12)11(15)13-10-4-5-16-14-10/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
4-amino-3-methyl-N-(1,2-oxazol-3-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 4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62903600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).