(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate

C14H15FN2O4 — CID 78841391

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCc1noc(COC(=O)C(C)(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O4/c1-9-16-12(21-17-9)8-19-13(18)14(2,3)20-11-6-4-10(15)5-7-11/h4-7H,8H2,1-3H3
InChIKeyZEJYETHWVXABMK-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.42
Rot. Bonds5

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate (PubChem CID 78841391) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
PubChem CID78841391
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCc1noc(COC(=O)C(C)(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O4/c1-9-16-12(21-17-9)8-19-13(18)14(2,3)20-11-6-4-10(15)5-7-11/h4-7H,8H2,1-3H3
InChIKeyZEJYETHWVXABMK-UHFFFAOYSA-N
XLogP2.42
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-2-phenylpropanoate
CID 46544043
(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846147
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 29429185
4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846639
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35834578
1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol
CID 171986887
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 32751861
2-amino-2-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanamide
CID 119322899
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
CID 60561980
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate (CID 78841391) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate is Cc1noc(COC(=O)C(C)(C)Oc2ccc(F)cc2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The InChIKey is ZEJYETHWVXABMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-9-16-12(21-17-9)8-19-13(18)14(2,3)20-11-6-4-10(15)5-7-11/h4-7H,8H2,1-3H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate has a molecular weight of 294.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 78841391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).