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

C18H21N7O2 — CID 119065485

IUPAC[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCN(c4ncn[nH]4)CC3)cc2)no1
InChIInChI=1S/C18H21N7O2/c1-12(2)16-21-15(23-27-16)13-3-5-14(6-4-13)17(26)24-7-9-25(10-8-24)18-19-11-20-22-18/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyOXEBMJYPIYIXNJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.94
Rot. Bonds4

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

[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119065485) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 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-yl)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-yl)piperazin-1-yl]methanone
PubChem CID119065485
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCN(c4ncn[nH]4)CC3)cc2)no1
InChIInChI=1S/C18H21N7O2/c1-12(2)16-21-15(23-27-16)13-3-5-14(6-4-13)17(26)24-7-9-25(10-8-24)18-19-11-20-22-18/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyOXEBMJYPIYIXNJ-UHFFFAOYSA-N
XLogP1.94
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[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-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491452
2-[4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]-4aH-quinazolin-4-one
CID 165414464
[3,5-bis(trifluoromethyl)phenyl]-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 121073138
[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
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 119062299
[4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea
CID 43073692
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491426

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-yl)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-yl)piperazin-1-yl]methanone (CID 119065485) is [4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)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-yl)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-yl)piperazin-1-yl]methanone is CC(C)c1nc(-c2ccc(C(=O)N3CCN(c4ncn[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-yl)piperazin-1-yl]methanone?
The InChIKey is OXEBMJYPIYIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12(2)16-21-15(23-27-16)13-3-5-14(6-4-13)17(26)24-7-9-25(10-8-24)18-19-11-20-22-18/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,22).
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-yl)piperazin-1-yl]methanone?
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.94, 4 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-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119065485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).