2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile

C15H15N5O4S — CID 110396125

IUPAC2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESCc1nnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1
InChIInChI=1S/C15H15N5O4S/c1-11-17-18-14(24-11)15(21)19-6-8-20(9-7-19)25(22,23)13-5-3-2-4-12(13)10-16/h2-5H,6-9H2,1H3
InChIKeyZVSBNZDBAQFVLN-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.40
Rot. Bonds3

About 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile

2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 110396125) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
PubChem CID110396125
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC Name2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESCc1nnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1
InChIInChI=1S/C15H15N5O4S/c1-11-17-18-14(24-11)15(21)19-6-8-20(9-7-19)25(22,23)13-5-3-2-4-12(13)10-16/h2-5H,6-9H2,1H3
InChIKeyZVSBNZDBAQFVLN-UHFFFAOYSA-N
XLogP0.40
TPSA120.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
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CID 110811220
2-[4-(3,4,5,6-tetrachloropyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
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2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile (CID 110396125) is 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile is Cc1nnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1.
What is the InChIKey of 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is ZVSBNZDBAQFVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-11-17-18-14(24-11)15(21)19-6-8-20(9-7-19)25(22,23)13-5-3-2-4-12(13)10-16/h2-5H,6-9H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 361.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 110396125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).