2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide

C12H12N2O2S — CID 114186980

IUPAC2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccno1
InChIInChI=1S/C12H12N2O2S/c1-8-2-3-10(17)6-11(8)12(15)13-7-9-4-5-14-16-9/h2-6,17H,7H2,1H3,(H,13,15)
InChIKeyFHTGHHDJAQGKIN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.20
Rot. Bonds3

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

2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide (PubChem CID 114186980) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
PubChem CID114186980
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccno1
InChIInChI=1S/C12H12N2O2S/c1-8-2-3-10(17)6-11(8)12(15)13-7-9-4-5-14-16-9/h2-6,17H,7H2,1H3,(H,13,15)
InChIKeyFHTGHHDJAQGKIN-UHFFFAOYSA-N
XLogP2.20
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide (CID 114186980) is 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCc1ccno1.
What is the InChIKey of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide?
The InChIKey is FHTGHHDJAQGKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-2-3-10(17)6-11(8)12(15)13-7-9-4-5-14-16-9/h2-6,17H,7H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide?
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide has a molecular weight of 248.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide is sourced from PubChem (CID 114186980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).