N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H15N3O2S — CID 1246991

IUPACN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-10-15(11(2)23-21-10)17(22)20-18-14(9-19)16(12(3)24-18)13-7-5-4-6-8-13/h4-8H,1-3H3,(H,20,22)
InChIKeyTZPMWECWAREQGV-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.45
Rot. Bonds3

About N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1246991) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1246991
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-10-15(11(2)23-21-10)17(22)20-18-14(9-19)16(12(3)24-18)13-7-5-4-6-8-13/h4-8H,1-3H3,(H,20,22)
InChIKeyTZPMWECWAREQGV-UHFFFAOYSA-N
XLogP4.45
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1246991) is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is TZPMWECWAREQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-15(11(2)23-21-10)17(22)20-18-14(9-19)16(12(3)24-18)13-7-5-4-6-8-13/h4-8H,1-3H3,(H,20,22).
What are the key properties of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1246991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).