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

C15H18N2O4 — CID 60724693

IUPACmethyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
SMILESCCCCc1noc(COc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-3-4-5-13-16-14(21-17-13)10-20-12-8-6-11(7-9-12)15(18)19-2/h6-9H,3-5,10H2,1-2H3
InChIKeyGEEWJDBGALCJSK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.78
Rot. Bonds7

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

methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate (PubChem CID 60724693) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
PubChem CID60724693
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
SMILESCCCCc1noc(COc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C15H18N2O4/c1-3-4-5-13-16-14(21-17-13)10-20-12-8-6-11(7-9-12)15(18)19-2/h6-9H,3-5,10H2,1-2H3
InChIKeyGEEWJDBGALCJSK-UHFFFAOYSA-N
XLogP2.78
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-butyl-1,2,4-oxadiazol-5-yl)benzoate
CID 59913410
methyl 4-[[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl-methylcarbamoyl]amino]benzoate
CID 53004665
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 5041101
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 55201373
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
CID 50765719

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate?
The IUPAC name of methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate (CID 60724693) is methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate is CCCCc1noc(COc2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate?
The InChIKey is GEEWJDBGALCJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-4-5-13-16-14(21-17-13)10-20-12-8-6-11(7-9-12)15(18)19-2/h6-9H,3-5,10H2,1-2H3.
What are the key properties of methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate?
methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate has a molecular weight of 290.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]benzoate is sourced from PubChem (CID 60724693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).