2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

C12H13N3O2 — CID 114185707

IUPAC2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCc2ccno2)c1
InChIInChI=1S/C12H13N3O2/c1-8-2-3-11(13)10(6-8)12(16)14-7-9-4-5-15-17-9/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyUFQXRGRPAJWYHW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 114185707) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID114185707
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCc2ccno2)c1
InChIInChI=1S/C12H13N3O2/c1-8-2-3-11(13)10(6-8)12(16)14-7-9-4-5-15-17-9/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyUFQXRGRPAJWYHW-UHFFFAOYSA-N
XLogP1.50
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.50
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-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415796
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 114185707) is 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is Cc1ccc(N)c(C(=O)NCc2ccno2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is UFQXRGRPAJWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-2-3-11(13)10(6-8)12(16)14-7-9-4-5-15-17-9/h2-6H,7,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 114185707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).