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

C11H11N3O2S — CID 106921534

IUPAC4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2cc(N)ccc2C(N)=O)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-4-7(12)2-3-8(9)10(13)15/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyBPJXXUWZKULVFT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.82
Rot. Bonds3

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

4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106921534) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106921534
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2cc(N)ccc2C(N)=O)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-4-7(12)2-3-8(9)10(13)15/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyBPJXXUWZKULVFT-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-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
CID 99825748
4-Amino-2-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921376
4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921421
3-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921455
2-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921464
4-amino-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921467
4-amino-N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921468
4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921469
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921476
1-[2-Amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921477

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106921534) is 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2cc(N)ccc2C(N)=O)n1.
What is the InChIKey of 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is BPJXXUWZKULVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-5-16-11(14-6)17-9-4-7(12)2-3-8(9)10(13)15/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
4-amino-2-[(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 4-amino-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106921534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).