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

C12H11N3O2S — CID 1246355

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1
InChIInChI=1S/C12H11N3O2S/c1-6-4-10(15-17-6)11(16)14-12-9(5-13)7(2)8(3)18-12/h4H,1-3H3,(H,14,16)
InChIKeyPPAAKEYCBKGPQM-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.79
Rot. Bonds2

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1246355) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1246355
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1
InChIInChI=1S/C12H11N3O2S/c1-6-4-10(15-17-6)11(16)14-12-9(5-13)7(2)8(3)18-12/h4H,1-3H3,(H,14,16)
InChIKeyPPAAKEYCBKGPQM-UHFFFAOYSA-N
XLogP2.79
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-isopropyl-3-isoxazolecarboxamide
CID 16188848
N-[3-carbamoyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 996494
N-(4-cyanophenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 16195442
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 866473
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1247253
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
CID 2971259
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3239681
Ethyl 4,5-dimethyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate
CID 5130789
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
CID 5307260
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5307447
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide
CID 5308330
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309667

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 1246355) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PPAAKEYCBKGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-6-4-10(15-17-6)11(16)14-12-9(5-13)7(2)8(3)18-12/h4H,1-3H3,(H,14,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1246355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).