N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C18H15N3O2S — CID 2217163

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-3-13-11(2)24-18(14(13)10-19)20-17(22)15-9-16(23-21-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyVYZBZSMLLKTOTH-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.40
Rot. Bonds4

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2217163) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2217163
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-3-13-11(2)24-18(14(13)10-19)20-17(22)15-9-16(23-21-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyVYZBZSMLLKTOTH-UHFFFAOYSA-N
XLogP4.40
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253032
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5096891
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309667
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
CID 4244032
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17174170
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2217163) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VYZBZSMLLKTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-3-13-11(2)24-18(14(13)10-19)20-17(22)15-9-16(23-21-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2217163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).