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

C19H14Cl2N4O2 — CID 44512993

IUPAC2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)cc3)o2)c1C
InChIInChI=1S/C19H14Cl2N4O2/c1-11-15(10-22-25(11)16-9-14(21)7-8-17(16)26-2)19-24-23-18(27-19)12-3-5-13(20)6-4-12/h3-10H,1-2H3
InChIKeyISWFPJKNRCIKON-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.21
Rot. Bonds4

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

2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 44512993) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID44512993
Molecular FormulaC19H14Cl2N4O2
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)cc3)o2)c1C
InChIInChI=1S/C19H14Cl2N4O2/c1-11-15(10-22-25(11)16-9-14(21)7-8-17(16)26-2)19-24-23-18(27-19)12-3-5-13(20)6-4-12/h3-10H,1-2H3
InChIKeyISWFPJKNRCIKON-UHFFFAOYSA-N
XLogP5.21
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 44512993) is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)cc3)o2)c1C.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is ISWFPJKNRCIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c1-11-15(10-22-25(11)16-9-14(21)7-8-17(16)26-2)19-24-23-18(27-19)12-3-5-13(20)6-4-12/h3-10H,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(4-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 401.25 g/mol, XLogP of 5.21, 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-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 44512993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).