2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole

C14H10F4N4O3 — CID 19552582

IUPAC2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccn(C(F)F)n3)o2)ccc1OC(F)F
InChIInChI=1S/C14H10F4N4O3/c1-23-10-6-7(2-3-9(10)24-14(17)18)11-19-20-12(25-11)8-4-5-22(21-8)13(15)16/h2-6,13-14H,1H3
InChIKeyRTCPIRNWYWYODW-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole (PubChem CID 19552582) has the molecular formula C14H10F4N4O3 and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
PubChem CID19552582
Molecular FormulaC14H10F4N4O3
Molecular Weight358.25 g/mol
Exact Mass358.07
IUPAC Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccn(C(F)F)n3)o2)ccc1OC(F)F
InChIInChI=1S/C14H10F4N4O3/c1-23-10-6-7(2-3-9(10)24-14(17)18)11-19-20-12(25-11)8-4-5-22(21-8)13(15)16/h2-6,13-14H,1H3
InChIKeyRTCPIRNWYWYODW-UHFFFAOYSA-N
XLogP3.61
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 17022457
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
[6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-yl]oxy-trimethylsilane
CID 91742628
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
CID 122658507
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542406
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole (CID 19552582) is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccn(C(F)F)n3)o2)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is RTCPIRNWYWYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O3/c1-23-10-6-7(2-3-9(10)24-14(17)18)11-19-20-12(25-11)8-4-5-22(21-8)13(15)16/h2-6,13-14H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 358.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).