N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide

C15H16N2O3S — CID 16942407

IUPACN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2onc3c2CCC3)cc1
InChIInChI=1S/C15H16N2O3S/c1-19-10-5-7-11(8-6-10)21-9-14(18)16-15-12-3-2-4-13(12)17-20-15/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyKNXSSWWYZHRXOS-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.90
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 16942407) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID16942407
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2onc3c2CCC3)cc1
InChIInChI=1S/C15H16N2O3S/c1-19-10-5-7-11(8-6-10)21-9-14(18)16-15-12-3-2-4-13(12)17-20-15/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyKNXSSWWYZHRXOS-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 16942366
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 16942524
2-(4-methoxyphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 41320506
N-(4-methoxyphenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 967721
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-chloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 139801659
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 16942407) is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2onc3c2CCC3)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is KNXSSWWYZHRXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-10-5-7-11(8-6-10)21-9-14(18)16-15-12-3-2-4-13(12)17-20-15/h5-8H,2-4,9H2,1H3,(H,16,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 16942407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).