[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C26H25N5O2 — CID 43048457

IUPAC[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2)o1
InChIInChI=1S/C26H25N5O2/c1-19-6-2-3-8-23(19)25-29-28-24(33-25)20-9-11-21(12-10-20)26(32)31-16-14-30(15-17-31)18-22-7-4-5-13-27-22/h2-13H,14-18H2,1H3
InChIKeyYXWJJWUADAHFAO-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.07
Rot. Bonds5

About [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 43048457) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID43048457
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2)o1
InChIInChI=1S/C26H25N5O2/c1-19-6-2-3-8-23(19)25-29-28-24(33-25)20-9-11-21(12-10-20)26(32)31-16-14-30(15-17-31)18-22-7-4-5-13-27-22/h2-13H,14-18H2,1H3
InChIKeyYXWJJWUADAHFAO-UHFFFAOYSA-N
XLogP4.07
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 43048457) is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2)o1.
What is the InChIKey of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YXWJJWUADAHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-19-6-2-3-8-23(19)25-29-28-24(33-25)20-9-11-21(12-10-20)26(32)31-16-14-30(15-17-31)18-22-7-4-5-13-27-22/h2-13H,14-18H2,1H3.
What are the key properties of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).