1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone

C23H25N5O3 — CID 53134222

IUPAC1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C23H25N5O3/c1-16-5-2-3-7-19(16)30-15-20(29)27-11-13-28(14-12-27)21-18(6-4-10-24-21)23-26-25-22(31-23)17-8-9-17/h2-7,10,17H,8-9,11-15H2,1H3
InChIKeyPCIHGCMSFXNYST-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.05
Rot. Bonds6

About 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone

1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 53134222) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
PubChem CID53134222
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C23H25N5O3/c1-16-5-2-3-7-19(16)30-15-20(29)27-11-13-28(14-12-27)21-18(6-4-10-24-21)23-26-25-22(31-23)17-8-9-17/h2-7,10,17H,8-9,11-15H2,1H3
InChIKeyPCIHGCMSFXNYST-UHFFFAOYSA-N
XLogP3.05
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 2526579
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CID 73353706
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CID 29254745
CID 29254745
CID 73355221
CID 73355221
CID 92575373
CID 92575373
CID 145953204
CID 145953204
CID 172433375
CID 172433375
CID 59471697
CID 59471697
CID 53012016
CID 53012016
CID 53133983
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CID 53156822
CID 53156822

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone (CID 53134222) is 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.
What is the InChIKey of 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is PCIHGCMSFXNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-5-2-3-7-19(16)30-15-20(29)27-11-13-28(14-12-27)21-18(6-4-10-24-21)23-26-25-22(31-23)17-8-9-17/h2-7,10,17H,8-9,11-15H2,1H3.
What are the key properties of 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 419.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 53134222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).