N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide

C13H14N2O2S — CID 106377771

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
SMILESCc1nc(CNC(=O)c2cccc(S)c2)oc1C
InChIInChI=1S/C13H14N2O2S/c1-8-9(2)17-12(15-8)7-14-13(16)10-4-3-5-11(18)6-10/h3-6,18H,7H2,1-2H3,(H,14,16)
InChIKeyVQAQHRDCUAEWDK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.51
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide (PubChem CID 106377771) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
PubChem CID106377771
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
SMILESCc1nc(CNC(=O)c2cccc(S)c2)oc1C
InChIInChI=1S/C13H14N2O2S/c1-8-9(2)17-12(15-8)7-14-13(16)10-4-3-5-11(18)6-10/h3-6,18H,7H2,1-2H3,(H,14,16)
InChIKeyVQAQHRDCUAEWDK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-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-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
3-[(2-cyanophenyl)methoxy]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86832339
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377408
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-sulfanylbenzamide
CID 106377769
3-[[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide
CID 109431793

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide (CID 106377771) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide is Cc1nc(CNC(=O)c2cccc(S)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is VQAQHRDCUAEWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-9(2)17-12(15-8)7-14-13(16)10-4-3-5-11(18)6-10/h3-6,18H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 106377771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).