N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C13H11N3O2S — CID 866473

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-10(16-18-7)12(17)15-13-9(6-14)8-3-2-4-11(8)19-13/h5H,2-4H2,1H3,(H,15,17)
InChIKeyGVFCSNMGSRACHX-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.66
Rot. Bonds2

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 866473) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID866473
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1
InChIInChI=1S/C13H11N3O2S/c1-7-5-10(16-18-7)12(17)15-13-9(6-14)8-3-2-4-11(8)19-13/h5H,2-4H2,1H3,(H,15,17)
InChIKeyGVFCSNMGSRACHX-UHFFFAOYSA-N
XLogP2.66
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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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-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 1246355
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
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5309708
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-5-isobutyl-3-isoxazolecarboxamide
CID 9549987

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 866473) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GVFCSNMGSRACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-5-10(16-18-7)12(17)15-13-9(6-14)8-3-2-4-11(8)19-13/h5H,2-4H2,1H3,(H,15,17).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 866473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).