3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

C11H11N3O2S — CID 106921509

IUPAC3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(N)=O)cc2N)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-3-2-7(10(13)15)4-8(9)12/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyMHZMISPGDADUQX-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106921509) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106921509
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(N)=O)cc2N)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-3-2-7(10(13)15)4-8(9)12/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyMHZMISPGDADUQX-UHFFFAOYSA-N
XLogP1.82
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 106921458
5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
5-Amino-2-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzoic acid
CID 106921610
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde
CID 106926374
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
CID 24240120
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 24656796
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
CID 99825748
1-[4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
CID 103525462
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106921509) is 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2ccc(C(N)=O)cc2N)n1.
What is the InChIKey of 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is MHZMISPGDADUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-3-2-7(10(13)15)4-8(9)12/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 249.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106921509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).