[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

C19H23N7O2 — CID 119060567

IUPAC[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCN(Cc4ncn[nH]4)CC3)cc2)no1
InChIInChI=1S/C19H23N7O2/c1-13(2)18-22-17(24-28-18)14-3-5-15(6-4-14)19(27)26-9-7-25(8-10-26)11-16-20-12-21-23-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21,23)
InChIKeySPQROFDFEGFNSF-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.94
Rot. Bonds5

About [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119060567) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID119060567
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCN(Cc4ncn[nH]4)CC3)cc2)no1
InChIInChI=1S/C19H23N7O2/c1-13(2)18-22-17(24-28-18)14-3-5-15(6-4-14)19(27)26-9-7-25(8-10-26)11-16-20-12-21-23-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21,23)
InChIKeySPQROFDFEGFNSF-UHFFFAOYSA-N
XLogP1.94
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 119065485
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446490
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446489
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587
1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491452
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 55791351
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119071153
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90491428
(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119065515
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
2-[4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]-4aH-quinazolin-4-one
CID 165414464

Frequently Asked Questions

What is the IUPAC name of [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (CID 119060567) is [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is CC(C)c1nc(-c2ccc(C(=O)N3CCN(Cc4ncn[nH]4)CC3)cc2)no1.
What is the InChIKey of [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SPQROFDFEGFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-13(2)18-22-17(24-28-18)14-3-5-15(6-4-14)19(27)26-9-7-25(8-10-26)11-16-20-12-21-23-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21,23).
What are the key properties of [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119060567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).