2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C11H12N4O2 — CID 61089900

IUPAC2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N)cc2N)on1
InChIInChI=1S/C11H12N4O2/c1-6-4-10(17-15-6)14-11(16)8-3-2-7(12)5-9(8)13/h2-5H,12-13H2,1H3,(H,14,16)
InChIKeyCQVDDRBUKHTQRK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.40
Rot. Bonds2

About 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide

2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 61089900) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID61089900
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N)cc2N)on1
InChIInChI=1S/C11H12N4O2/c1-6-4-10(17-15-6)14-11(16)8-3-2-7(12)5-9(8)13/h2-5H,12-13H2,1H3,(H,14,16)
InChIKeyCQVDDRBUKHTQRK-UHFFFAOYSA-N
XLogP1.40
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indazole-3-carboxamide
CID 54944436
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2,5-dimethoxy-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284631
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 61089900) is 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(N)cc2N)on1.
What is the InChIKey of 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is CQVDDRBUKHTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-4-10(17-15-6)14-11(16)8-3-2-7(12)5-9(8)13/h2-5H,12-13H2,1H3,(H,14,16).
What are the key properties of 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 61089900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).