4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid

C14H14N2O3 — CID 83150735

IUPAC4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESCC(c1nnc(-c2ccc(C(=O)O)cc2)o1)C1CC1
InChIInChI=1S/C14H14N2O3/c1-8(9-2-3-9)12-15-16-13(19-12)10-4-6-11(7-5-10)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyAVKLRHDJLXCAJN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.95
Rot. Bonds4

About 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid

4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 83150735) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
PubChem CID83150735
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESCC(c1nnc(-c2ccc(C(=O)O)cc2)o1)C1CC1
InChIInChI=1S/C14H14N2O3/c1-8(9-2-3-9)12-15-16-13(19-12)10-4-6-11(7-5-10)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyAVKLRHDJLXCAJN-UHFFFAOYSA-N
XLogP2.95
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylbenzoic acid
CID 103431085
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382261
4-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 55184922
4-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126755771
trans-(1R,2R)-2-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129429942
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
(3R)-1-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 100840644
4-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382464
3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 104522209
1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 25346954

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 83150735) is 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid is CC(c1nnc(-c2ccc(C(=O)O)cc2)o1)C1CC1.
What is the InChIKey of 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The InChIKey is AVKLRHDJLXCAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8(9-2-3-9)12-15-16-13(19-12)10-4-6-11(7-5-10)14(17)18/h4-9H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 83150735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).