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

C26H25N5O2 — CID 17408822

IUPAC[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)cc3)o2)cc1
InChIInChI=1S/C26H25N5O2/c1-19-2-4-21(5-3-19)24-28-29-25(33-24)22-6-8-23(9-7-22)26(32)31-16-14-30(15-17-31)18-20-10-12-27-13-11-20/h2-13H,14-18H2,1H3
InChIKeyYMONQALNCWPTBA-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.07
Rot. Bonds5

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

[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17408822) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID17408822
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)cc3)o2)cc1
InChIInChI=1S/C26H25N5O2/c1-19-2-4-21(5-3-19)24-28-29-25(33-24)22-6-8-23(9-7-22)26(32)31-16-14-30(15-17-31)18-20-10-12-27-13-11-20/h2-13H,14-18H2,1H3
InChIKeyYMONQALNCWPTBA-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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Related Compounds

(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 39950040
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9071302
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 30536633
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 43048457
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 17408822) is [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)cc3)o2)cc1.
What is the InChIKey of [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YMONQALNCWPTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-19-2-4-21(5-3-19)24-28-29-25(33-24)22-6-8-23(9-7-22)26(32)31-16-14-30(15-17-31)18-20-10-12-27-13-11-20/h2-13H,14-18H2,1H3.
What are the key properties of [4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17408822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).