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

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Related Compounds

ethyl (2S)-3-methyl-2-[(5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoate
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N-benzyl-N-methyl-4-methylsulfanylbenzamide
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5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
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N-benzyl-N-methylpyridine-4-carboxamide
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N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 42571411
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
CID 54228518

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).