2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C19H14ClFN4O2 — CID 44513646

IUPAC2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(F)cc3)o2)c1C
InChIInChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)5-8-17(16)26-2)19-24-23-18(27-19)12-3-6-14(21)7-4-12/h3-10H,1-2H3
InChIKeyDCEGAIJQMQYOCV-UHFFFAOYSA-N
MW384.80 g/mol
LogP4.70
Rot. Bonds4

About 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 44513646) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID44513646
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(F)cc3)o2)c1C
InChIInChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)5-8-17(16)26-2)19-24-23-18(27-19)12-3-6-14(21)7-4-12/h3-10H,1-2H3
InChIKeyDCEGAIJQMQYOCV-UHFFFAOYSA-N
XLogP4.70
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 44512993
2-(3-Bromo-4-methylphenyl)-5-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-1,3,4-oxadiazole
CID 44512994
2-(4-Bromophenyl)-5-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-1,3,4-oxadiazole
CID 44513323
2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 44513324
2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 44513325
2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazole
CID 44513326
2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 44513647
2-(4-Bromo-3-methylphenyl)-5-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-1,3,4-oxadiazole
CID 44513648
2-[1-(5-Chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazole
CID 44513649
N-(5-Chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-YL)-1H-pyrazole-4-carboxamide
CID 6622597
5-Chloro-2-[1-(3,4-difluorophenyl)pyrazol-4-yl]-1,3-benzoxazole
CID 49866189
2-(4-Chlorophenyl)-5-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 44513646) is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(F)cc3)o2)c1C.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DCEGAIJQMQYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)5-8-17(16)26-2)19-24-23-18(27-19)12-3-6-14(21)7-4-12/h3-10H,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 384.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 44513646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).