3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol

C18H18FN3O2 — CID 135862890

IUPAC3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCc1c(-c2nnc(NCc3cccc(F)c3)o2)ccc(O)c1C
InChIInChI=1S/C18H18FN3O2/c1-3-14-11(2)16(23)8-7-15(14)17-21-22-18(24-17)20-10-12-5-4-6-13(19)9-12/h4-9,23H,3,10H2,1-2H3,(H,20,22)
InChIKeyZHKCGBVPJWNQIC-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.06
Rot. Bonds5

About 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol

3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol (PubChem CID 135862890) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
PubChem CID135862890
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
SMILESCCc1c(-c2nnc(NCc3cccc(F)c3)o2)ccc(O)c1C
InChIInChI=1S/C18H18FN3O2/c1-3-14-11(2)16(23)8-7-15(14)17-21-22-18(24-17)20-10-12-5-4-6-13(19)9-12/h4-9,23H,3,10H2,1-2H3,(H,20,22)
InChIKeyZHKCGBVPJWNQIC-UHFFFAOYSA-N
XLogP4.06
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-Dihydro-1-benzofuran-5-yl)-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 44590413
5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-yl-cyanamide
CID 135786528
4-(2,4-Difluorophenyl)-2-[5-(prop-2-enylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 135665944
2-[5-(Cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(2,4-difluorophenyl)phenol
CID 135425206
2-[5-(Cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(3,5-difluorophenyl)phenol
CID 135465458
4-(2,4-Difluorophenyl)-2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 135665940
4-(2,4-Difluorophenyl)-2-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenol
CID 135665943
N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 75458161
2,3-Difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]phenol
CID 135862895
7-[[[5-(2-Ethyl-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-[3-(trifluoromethoxy)phenyl]chromen-2-one
CID 141618257
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 142725461
N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 86793879

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The IUPAC name of 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol (CID 135862890) is 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol.
What is the SMILES notation for 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The canonical SMILES for 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol is CCc1c(-c2nnc(NCc3cccc(F)c3)o2)ccc(O)c1C.
What is the InChIKey of 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
The InChIKey is ZHKCGBVPJWNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-14-11(2)16(23)8-7-15(14)17-21-22-18(24-17)20-10-12-5-4-6-13(19)9-12/h4-9,23H,3,10H2,1-2H3,(H,20,22).
What are the key properties of 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol?
3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol has a molecular weight of 327.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol is sourced from PubChem (CID 135862890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).