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

C19H14ClN3O2S — CID 649757

IUPAC3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
InChIKeyPPPHOQFSIXVYRL-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.98
Rot. Bonds3

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

3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 649757) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID649757
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
InChIKeyPPPHOQFSIXVYRL-UHFFFAOYSA-N
XLogP4.98
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2522158
methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1001041
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-thienylmethyl)-4-isoxazolecarboxamide
CID 1247720
3-(2-chlorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 3245964
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2861907
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4444836
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1358448
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1245143
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1245760
N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1246991
methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1358552
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2121217

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 649757) is 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PPPHOQFSIXVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 649757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).