N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide

C13H14N2O2S — CID 106390062

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
SMILESCc1cnc(C(C)NC(=O)c2cccc(S)c2)o1
InChIInChI=1S/C13H14N2O2S/c1-8-7-14-13(17-8)9(2)15-12(16)10-4-3-5-11(18)6-10/h3-7,9,18H,1-2H3,(H,15,16)
InChIKeyRSKZIYLGKFMJNH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.76
Rot. Bonds3

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide (PubChem CID 106390062) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
PubChem CID106390062
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
SMILESCc1cnc(C(C)NC(=O)c2cccc(S)c2)o1
InChIInChI=1S/C13H14N2O2S/c1-8-7-14-13(17-8)9(2)15-12(16)10-4-3-5-11(18)6-10/h3-7,9,18H,1-2H3,(H,15,16)
InChIKeyRSKZIYLGKFMJNH-UHFFFAOYSA-N
XLogP2.76
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 104630729
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103950224
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
2-amino-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389806
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide (CID 106390062) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide is Cc1cnc(C(C)NC(=O)c2cccc(S)c2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide?
The InChIKey is RSKZIYLGKFMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-7-14-13(17-8)9(2)15-12(16)10-4-3-5-11(18)6-10/h3-7,9,18H,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide is sourced from PubChem (CID 106390062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).