2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide

C16H17ClN2O2S — CID 3239474

IUPAC2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1
InChIInChI=1S/C16H17ClN2O2S/c1-10-14(8-22-9-15(20)18-11-6-7-11)19-16(21-10)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3,(H,18,20)
InChIKeyOMXGISKMOCGINK-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.82
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide (PubChem CID 3239474) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide
PubChem CID3239474
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1
InChIInChI=1S/C16H17ClN2O2S/c1-10-14(8-22-9-15(20)18-11-6-7-11)19-16(21-10)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3,(H,18,20)
InChIKeyOMXGISKMOCGINK-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide (CID 3239474) is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide is Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide?
The InChIKey is OMXGISKMOCGINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10-14(8-22-9-15(20)18-11-6-7-11)19-16(21-10)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3,(H,18,20).
What are the key properties of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide?
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide has a molecular weight of 336.84 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 3239474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).