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

C18H15N3O3S — CID 17253032

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(-c3cccc(O)c3)on2)c1C#N
InChIInChI=1S/C18H15N3O3S/c1-3-13-10(2)25-18(14(13)9-19)20-17(23)15-8-16(24-21-15)11-5-4-6-12(22)7-11/h4-8,22H,3H2,1-2H3,(H,20,23)
InChIKeySCUVIRKOYJGCRB-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.10
Rot. Bonds4

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

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253032) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17253032
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(-c3cccc(O)c3)on2)c1C#N
InChIInChI=1S/C18H15N3O3S/c1-3-13-10(2)25-18(14(13)9-19)20-17(23)15-8-16(24-21-15)11-5-4-6-12(22)7-11/h4-8,22H,3H2,1-2H3,(H,20,23)
InChIKeySCUVIRKOYJGCRB-UHFFFAOYSA-N
XLogP4.10
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2217163
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309667
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5096891
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17174170
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641
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
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253035
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
diethyl 5-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 22427447

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 17253032) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is CCc1c(C)sc(NC(=O)c2cc(-c3cccc(O)c3)on2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SCUVIRKOYJGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-3-13-10(2)25-18(14(13)9-19)20-17(23)15-8-16(24-21-15)11-5-4-6-12(22)7-11/h4-8,22H,3H2,1-2H3,(H,20,23).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).