[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C16H20N4O3 — CID 110419180

IUPAC[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)o1
InChIInChI=1S/C16H20N4O3/c1-3-14-17-18-16(23-14)20-10-8-19(9-11-20)15(21)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyPYERZLTZSKKZBG-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.60
Rot. Bonds4

About [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 110419180) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID110419180
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)o1
InChIInChI=1S/C16H20N4O3/c1-3-14-17-18-16(23-14)20-10-8-19(9-11-20)15(21)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyPYERZLTZSKKZBG-UHFFFAOYSA-N
XLogP1.60
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110610820
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110665132
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 110419177
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(5-amino-1,3-benzoxazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 155535929
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539301
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 110419180) is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is CCc1nnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)o1.
What is the InChIKey of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PYERZLTZSKKZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-14-17-18-16(23-14)20-10-8-19(9-11-20)15(21)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110419180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).