methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate

C15H16N2O4 — CID 91650435

IUPACmethyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(C3(O)CCCC3)n2)c1
InChIInChI=1S/C15H16N2O4/c1-20-13(18)11-6-4-5-10(9-11)12-16-14(21-17-12)15(19)7-2-3-8-15/h4-6,9,19H,2-3,7-8H2,1H3
InChIKeyGJCGKDHLACWOOU-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.28
Rot. Bonds3

About methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate

methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 91650435) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID91650435
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(C3(O)CCCC3)n2)c1
InChIInChI=1S/C15H16N2O4/c1-20-13(18)11-6-4-5-10(9-11)12-16-14(21-17-12)15(19)7-2-3-8-15/h4-6,9,19H,2-3,7-8H2,1H3
InChIKeyGJCGKDHLACWOOU-UHFFFAOYSA-N
XLogP2.28
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 91650423
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095
methyl 3-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841816
methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 176895766
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
3-[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81452965
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 99847137
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683
3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
CID 104986062
methyl 3-[3-[4-(2-hydroxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232199
methyl 3-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.1]heptanyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 138602067

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate (CID 91650435) is methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1cccc(-c2noc(C3(O)CCCC3)n2)c1.
What is the InChIKey of methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is GJCGKDHLACWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13(18)11-6-4-5-10(9-11)12-16-14(21-17-12)15(19)7-2-3-8-15/h4-6,9,19H,2-3,7-8H2,1H3.
What are the key properties of methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate?
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 91650435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).