(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

C21H23N5O3 — CID 53134029

IUPAC(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccc3-c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C21H23N5O3/c1-3-28-17-8-6-16(7-9-17)21(27)26-13-11-25(12-14-26)19-18(5-4-10-22-19)20-24-23-15(2)29-20/h4-10H,3,11-14H2,1-2H3
InChIKeyVAEZAUPOKGLGRF-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.80
Rot. Bonds5

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

(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 53134029) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID53134029
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccc3-c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C21H23N5O3/c1-3-28-17-8-6-16(7-9-17)21(27)26-13-11-25(12-14-26)19-18(5-4-10-22-19)20-24-23-15(2)29-20/h4-10H,3,11-14H2,1-2H3
InChIKeyVAEZAUPOKGLGRF-UHFFFAOYSA-N
XLogP2.80
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
2-(3,4-difluorophenoxy)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 53134054
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 53134037
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 42587215
5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 44616286
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
CID 56545856
ethyl 2-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469644

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 53134029) is (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3ncccc3-c3nnc(C)o3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is VAEZAUPOKGLGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-28-17-8-6-16(7-9-17)21(27)26-13-11-25(12-14-26)19-18(5-4-10-22-19)20-24-23-15(2)29-20/h4-10H,3,11-14H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53134029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).