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

C14H12ClNO4 — CID 117473792

IUPAC3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2OCC2CC2)no1
InChIInChI=1S/C14H12ClNO4/c15-9-3-4-12(19-7-8-1-2-8)10(5-9)11-6-13(14(17)18)20-16-11/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyVFIZLBZWOKSBBM-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.48
Rot. Bonds5

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

3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117473792) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117473792
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2OCC2CC2)no1
InChIInChI=1S/C14H12ClNO4/c15-9-3-4-12(19-7-8-1-2-8)10(5-9)11-6-13(14(17)18)20-16-11/h3-6,8H,1-2,7H2,(H,17,18)
InChIKeyVFIZLBZWOKSBBM-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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Related Compounds

3-(5-chloro-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117418369
[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117448755
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
CID 103586472
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117467353
3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid
CID 117475416

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117473792) is 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)ccc2OCC2CC2)no1.
What is the InChIKey of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VFIZLBZWOKSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-9-3-4-12(19-7-8-1-2-8)10(5-9)11-6-13(14(17)18)20-16-11/h3-6,8H,1-2,7H2,(H,17,18).
What are the key properties of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-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 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117473792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).