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

C19H14ClFN4O2 — CID 44513324

IUPAC2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3cccc(F)c3)o2)c1C
InChIInChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)6-7-17(16)26-2)19-24-23-18(27-19)12-4-3-5-14(21)8-12/h3-10H,1-2H3
InChIKeyDMJOYPKVKLJUEE-UHFFFAOYSA-N
MW384.80 g/mol
LogP4.70
Rot. Bonds4

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

2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 44513324) 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-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID44513324
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3cccc(F)c3)o2)c1C
InChIInChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)6-7-17(16)26-2)19-24-23-18(27-19)12-4-3-5-14(21)8-12/h3-10H,1-2H3
InChIKeyDMJOYPKVKLJUEE-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 44513324) is 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3cccc(F)c3)o2)c1C.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DMJOYPKVKLJUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)6-7-17(16)26-2)19-24-23-18(27-19)12-4-3-5-14(21)8-12/h3-10H,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[1-(5-chloro-2-methoxyphenyl)-5-methylpyrazol-4-yl]-5-(3-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-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 44513324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).