[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

C16H12ClNO3S — CID 16869618

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H12ClNO3S/c17-12-5-3-11(4-6-12)15-8-13(18-21-15)10-20-16(19)9-14-2-1-7-22-14/h1-8H,9-10H2
InChIKeyKIRGRCBJPCVBFB-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.34
Rot. Bonds5

About [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (PubChem CID 16869618) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
PubChem CID16869618
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H12ClNO3S/c17-12-5-3-11(4-6-12)15-8-13(18-21-15)10-20-16(19)9-14-2-1-7-22-14/h1-8H,9-10H2
InChIKeyKIRGRCBJPCVBFB-UHFFFAOYSA-N
XLogP4.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (CID 16869618) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is O=C(Cc1cccs1)OCc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The InChIKey is KIRGRCBJPCVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c17-12-5-3-11(4-6-12)15-8-13(18-21-15)10-20-16(19)9-14-2-1-7-22-14/h1-8H,9-10H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate has a molecular weight of 333.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 16869618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).