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

C16H18N2O3 — CID 63382261

IUPAC4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(CC3CCCCC3)o2)cc1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-8-6-12(7-9-13)15-18-17-14(21-15)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
InChIKeyQYQFGAQBRDMFID-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.56
Rot. Bonds4

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

4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 63382261) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
PubChem CID63382261
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(CC3CCCCC3)o2)cc1
InChIInChI=1S/C16H18N2O3/c19-16(20)13-8-6-12(7-9-13)15-18-17-14(21-15)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
InChIKeyQYQFGAQBRDMFID-UHFFFAOYSA-N
XLogP3.56
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 50846469
4-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 55184922
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
2-(cycloheptylmethyl)-1,3-benzoxazole-4-carboxylic acid
CID 114459427
2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole
CID 114771885
4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 83150735
4-(cyclohexylmethyl)benzene-1,3-dicarboxylic acid
CID 174566304
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427955
4-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814
(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 53150018
tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
CID 86629001

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 63382261) is 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nnc(CC3CCCCC3)o2)cc1.
What is the InChIKey of 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The InChIKey is QYQFGAQBRDMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)13-8-6-12(7-9-13)15-18-17-14(21-15)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20).
What are the key properties of 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 63382261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).