[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate

C15H10ClNO3S — CID 42478357

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1
InChIInChI=1S/C15H10ClNO3S/c16-11-5-3-10(4-6-11)13-8-12(17-20-13)9-19-15(18)14-2-1-7-21-14/h1-8H,9H2
InChIKeyVKKXCMVDTQZNPO-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.41
Rot. Bonds4

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (PubChem CID 42478357) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
PubChem CID42478357
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1
InChIInChI=1S/C15H10ClNO3S/c16-11-5-3-10(4-6-11)13-8-12(17-20-13)9-19-15(18)14-2-1-7-21-14/h1-8H,9H2
InChIKeyVKKXCMVDTQZNPO-UHFFFAOYSA-N
XLogP4.41
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.41
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 thiophene-2-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate (CID 42478357) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate is O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
The InChIKey is VKKXCMVDTQZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-11-5-3-10(4-6-11)13-8-12(17-20-13)9-19-15(18)14-2-1-7-21-14/h1-8H,9H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate has a molecular weight of 319.77 g/mol, XLogP of 4.41, 4 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 thiophene-2-carboxylate is sourced from PubChem (CID 42478357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).