[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone

C15H18N4O2 — CID 8596995

IUPAC[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1nnc(CN2CCN(C(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-14(21-12)11-18-7-9-19(10-8-18)15(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyKPFJHRWQHAGLFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.34
Rot. Bonds3

About [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 8596995) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID8596995
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1nnc(CN2CCN(C(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O2/c1-12-16-17-14(21-12)11-18-7-9-19(10-8-18)15(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyKPFJHRWQHAGLFI-UHFFFAOYSA-N
XLogP1.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205260
2,6-difluoro-N-((5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7205292
2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502448
N-((5-((2-morpholino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7205201
N-((5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7502122
2-fluoro-N-({5-[(2-morpholin-4-yl-2-oxoethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 4193335
4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205262
N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502160
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-morpholin-4-ylethyl)phthalazin-1-one
CID 49845840
N-methyl-3-[[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872711
N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502168
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(phenyl)methanone
CID 44062173

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone (CID 8596995) is [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone is Cc1nnc(CN2CCN(C(=O)c3ccccc3)CC2)o1.
What is the InChIKey of [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is KPFJHRWQHAGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-12-16-17-14(21-12)11-18-7-9-19(10-8-18)15(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 8596995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).