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

C19H15ClN4O2 — CID 44513647

IUPAC2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C19H15ClN4O2/c1-12-15(19-23-22-18(26-19)13-6-4-3-5-7-13)11-21-24(12)16-10-14(20)8-9-17(16)25-2/h3-11H,1-2H3
InChIKeyUBUNMQANZNUSDS-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.56
Rot. Bonds4

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

2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 44513647) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID44513647
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C19H15ClN4O2/c1-12-15(19-23-22-18(26-19)13-6-4-3-5-7-13)11-21-24(12)16-10-14(20)8-9-17(16)25-2/h3-11H,1-2H3
InChIKeyUBUNMQANZNUSDS-UHFFFAOYSA-N
XLogP4.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.56
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-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 44513647) is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccccc3)o2)c1C.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UBUNMQANZNUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-15(19-23-22-18(26-19)13-6-4-3-5-7-13)11-21-24(12)16-10-14(20)8-9-17(16)25-2/h3-11H,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 366.81 g/mol, XLogP of 4.56, 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-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 44513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).