methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate

C14H14N2O3 — CID 162060001

IUPACmethyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nnc(C3CC3)o2)cc1C
InChIInChI=1S/C14H14N2O3/c1-8-7-10(5-6-11(8)14(17)18-2)13-16-15-12(19-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyBFGWFKOWMHQEME-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.71
Rot. Bonds3

About methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate

methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate (PubChem CID 162060001) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
PubChem CID162060001
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nnc(C3CC3)o2)cc1C
InChIInChI=1S/C14H14N2O3/c1-8-7-10(5-6-11(8)14(17)18-2)13-16-15-12(19-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyBFGWFKOWMHQEME-UHFFFAOYSA-N
XLogP2.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate with MolForge

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Related Compounds

methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060004
methyl 4-[5-(3,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 58104852
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide
CID 53163565
methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
CID 67159282
methyl 6-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)anilino]hexanoate
CID 166977055
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
CID 3692244
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
methyl 4-ethynyl-2-methylbenzoate
CID 22125950
2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The IUPAC name of methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate (CID 162060001) is methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate is COC(=O)c1ccc(-c2nnc(C3CC3)o2)cc1C.
What is the InChIKey of methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The InChIKey is BFGWFKOWMHQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-7-10(5-6-11(8)14(17)18-2)13-16-15-12(19-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate has a molecular weight of 258.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate is sourced from PubChem (CID 162060001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).