5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C14H12ClNO4 — CID 117473772

IUPAC5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(OCC3CC3)c2)on1
InChIInChI=1S/C14H12ClNO4/c15-10-3-9(13-6-12(14(17)18)16-20-13)4-11(5-10)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyAMBNSYPIHQZKJY-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.48
Rot. Bonds5

About 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117473772) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117473772
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)cc(OCC3CC3)c2)on1
InChIInChI=1S/C14H12ClNO4/c15-10-3-9(13-6-12(14(17)18)16-20-13)4-11(5-10)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyAMBNSYPIHQZKJY-UHFFFAOYSA-N
XLogP3.48
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117473772) is 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)cc(OCC3CC3)c2)on1.
What is the InChIKey of 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is AMBNSYPIHQZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-10-3-9(13-6-12(14(17)18)16-20-13)4-11(5-10)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18).
What are the key properties of 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117473772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).