N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

C14H14N2O2S — CID 3238925

IUPACN-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1noc2c1CCC2
InChIInChI=1S/C14H14N2O2S/c1-19-12-8-3-2-6-10(12)15-14(17)13-9-5-4-7-11(9)18-16-13/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
InChIKeyPFTVWYPBAGVJLZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.14
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 3238925) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID3238925
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1noc2c1CCC2
InChIInChI=1S/C14H14N2O2S/c1-19-12-8-3-2-6-10(12)15-14(17)13-9-5-4-7-11(9)18-16-13/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
InChIKeyPFTVWYPBAGVJLZ-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(3-Chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 5075788
N-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 5075959
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(2-ethylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 3337764
5-methyl-N-(2-(methylthio)phenyl)isoxazole-3-carboxamide
CID 1247789
N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3236796
N-[2-(methylthio)phenyl]-5-propyl-3-isoxazolecarboxamide
CID 5307918
5-(2-methylpropyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 5309677
5-cyclopropyl-N-[2-(methylthio)phenyl]-3-isoxazolecarboxamide
CID 9550166
N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 16188851

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 3238925) is N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is CSc1ccccc1NC(=O)c1noc2c1CCC2.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is PFTVWYPBAGVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-19-12-8-3-2-6-10(12)15-14(17)13-9-5-4-7-11(9)18-16-13/h2-3,6,8H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 3238925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).