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

C11H10N2O2S — CID 106423406

IUPACN-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
SMILESO=C(NCc1ccno1)c1ccccc1S
InChIInChI=1S/C11H10N2O2S/c14-11(9-3-1-2-4-10(9)16)12-7-8-5-6-13-15-8/h1-6,16H,7H2,(H,12,14)
InChIKeyQEIXCIYNMCQRSJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.89
Rot. Bonds3

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

N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide (PubChem CID 106423406) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
PubChem CID106423406
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
SMILESO=C(NCc1ccno1)c1ccccc1S
InChIInChI=1S/C11H10N2O2S/c14-11(9-3-1-2-4-10(9)16)12-7-8-5-6-13-15-8/h1-6,16H,7H2,(H,12,14)
InChIKeyQEIXCIYNMCQRSJ-UHFFFAOYSA-N
XLogP1.89
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.89
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

2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
N-(1,2-oxazol-5-ylmethyl)-2-propan-2-yloxybenzamide
CID 122135765
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
CID 104600407

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide (CID 106423406) is N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide is O=C(NCc1ccno1)c1ccccc1S.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide?
The InChIKey is QEIXCIYNMCQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(9-3-1-2-4-10(9)16)12-7-8-5-6-13-15-8/h1-6,16H,7H2,(H,12,14).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide?
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide has a molecular weight of 234.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide is sourced from PubChem (CID 106423406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).