2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

C15H10ClNO3S — CID 13105454

IUPAC2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2Cl)oc1-c1ccsc1
InChIInChI=1S/C15H10ClNO3S/c16-11-4-2-1-3-10(11)15-17-12(7-13(18)19)14(20-15)9-5-6-21-8-9/h1-6,8H,7H2,(H,18,19)
InChIKeyULIUBBNQJYNOLJ-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.35
Rot. Bonds4

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

2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (PubChem CID 13105454) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
PubChem CID13105454
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2Cl)oc1-c1ccsc1
InChIInChI=1S/C15H10ClNO3S/c16-11-4-2-1-3-10(11)15-17-12(7-13(18)19)14(20-15)9-5-6-21-8-9/h1-6,8H,7H2,(H,18,19)
InChIKeyULIUBBNQJYNOLJ-UHFFFAOYSA-N
XLogP4.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.35
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-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (CID 13105454) is 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccccc2Cl)oc1-c1ccsc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is ULIUBBNQJYNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-11-4-2-1-3-10(11)15-17-12(7-13(18)19)14(20-15)9-5-6-21-8-9/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 319.77 g/mol, XLogP of 4.35, 4 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-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 13105454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).