2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole

C18H15ClF2N2O3 — CID 19552698

IUPAC2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
SMILESCCOc1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)ccc1OC(F)F
InChIInChI=1S/C18H15ClF2N2O3/c1-2-24-15-10-12(5-8-14(15)25-18(20)21)17-23-22-16(26-17)9-11-3-6-13(19)7-4-11/h3-8,10,18H,2,9H2,1H3
InChIKeyASOZDTJUWJFTND-UHFFFAOYSA-N
MW380.78 g/mol
LogP4.98
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole

2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole (PubChem CID 19552698) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
PubChem CID19552698
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Name2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
SMILESCCOc1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)ccc1OC(F)F
InChIInChI=1S/C18H15ClF2N2O3/c1-2-24-15-10-12(5-8-14(15)25-18(20)21)17-23-22-16(26-17)9-11-3-6-13(19)7-4-11/h3-8,10,18H,2,9H2,1H3
InChIKeyASOZDTJUWJFTND-UHFFFAOYSA-N
XLogP4.98
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide
CID 16547451
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
CID 43654747
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032189
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole (CID 19552698) is 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole is CCOc1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)ccc1OC(F)F.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole?
The InChIKey is ASOZDTJUWJFTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c1-2-24-15-10-12(5-8-14(15)25-18(20)21)17-23-22-16(26-17)9-11-3-6-13(19)7-4-11/h3-8,10,18H,2,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole has a molecular weight of 380.78 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).