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

C19H15N3O2S — CID 1245760

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H15N3O2S/c1-11-16(17(22-24-11)12-6-3-2-4-7-12)18(23)21-19-14(10-20)13-8-5-9-15(13)25-19/h2-4,6-7H,5,8-9H2,1H3,(H,21,23)
InChIKeyZOFSDBUGBMYXCS-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.32
Rot. Bonds3

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1245760) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1245760
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H15N3O2S/c1-11-16(17(22-24-11)12-6-3-2-4-7-12)18(23)21-19-14(10-20)13-8-5-9-15(13)25-19/h2-4,6-7H,5,8-9H2,1H3,(H,21,23)
InChIKeyZOFSDBUGBMYXCS-UHFFFAOYSA-N
XLogP4.32
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1245760) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZOFSDBUGBMYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-16(17(22-24-11)12-6-3-2-4-7-12)18(23)21-19-14(10-20)13-8-5-9-15(13)25-19/h2-4,6-7H,5,8-9H2,1H3,(H,21,23).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).