(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

C18H15FN2O4 — CID 75500466

IUPAC(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCOc1cc(COC(=O)c2ccccc2-c2nnc(C)o2)ccc1F
InChIInChI=1S/C18H15FN2O4/c1-11-20-21-17(25-11)13-5-3-4-6-14(13)18(22)24-10-12-7-8-15(19)16(9-12)23-2/h3-9H,10H2,1-2H3
InChIKeyYMJDYPHBMHKMMF-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.55
Rot. Bonds5

About (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 75500466) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID75500466
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCOc1cc(COC(=O)c2ccccc2-c2nnc(C)o2)ccc1F
InChIInChI=1S/C18H15FN2O4/c1-11-20-21-17(25-11)13-5-3-4-6-14(13)18(22)24-10-12-7-8-15(19)16(9-12)23-2/h3-9H,10H2,1-2H3
InChIKeyYMJDYPHBMHKMMF-UHFFFAOYSA-N
XLogP3.55
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate 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-nitrophenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 99821157
imidazo[1,2-a]pyridin-2-ylmethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75500455
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
(4-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
N-(cyclopropylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166222786
(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738777
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 69214137

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (CID 75500466) is (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is COc1cc(COC(=O)c2ccccc2-c2nnc(C)o2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is YMJDYPHBMHKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-11-20-21-17(25-11)13-5-3-4-6-14(13)18(22)24-10-12-7-8-15(19)16(9-12)23-2/h3-9H,10H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
(4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 342.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 75500466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).