N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide

C19H18N2O2S — CID 46894651

IUPACN-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCSc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-21(13-14-9-5-3-6-10-14)18(22)16-19(24-2)23-17(20-16)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyYVFFZCIMEQHSQM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.34
Rot. Bonds5

About N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide

N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 46894651) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID46894651
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCSc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-21(13-14-9-5-3-6-10-14)18(22)16-19(24-2)23-17(20-16)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyYVFFZCIMEQHSQM-UHFFFAOYSA-N
XLogP4.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 46894651) is N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide is CSc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is YVFFZCIMEQHSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(13-14-9-5-3-6-10-14)18(22)16-19(24-2)23-17(20-16)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46894651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).