3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C19H25N7O3 — CID 128973556

IUPAC3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cnccn3)no2)CCN(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C19H25N7O3/c1-18(2,3)16-22-14(28-25-16)12-26-9-5-19(27-4,6-10-26)17-23-15(24-29-17)13-11-20-7-8-21-13/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyWAIVSAWZWFWRCO-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.34
Rot. Bonds5

About 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128973556) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128973556
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cnccn3)no2)CCN(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C19H25N7O3/c1-18(2,3)16-22-14(28-25-16)12-26-9-5-19(27-4,6-10-26)17-23-15(24-29-17)13-11-20-7-8-21-13/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyWAIVSAWZWFWRCO-UHFFFAOYSA-N
XLogP2.34
TPSA116.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 100764314
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973513
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973545
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol
CID 139005584
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025
5-[(3aS,6aS)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128971328

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128973556) is 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COC1(c2nc(-c3cnccn3)no2)CCN(Cc2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WAIVSAWZWFWRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-18(2,3)16-22-14(28-25-16)12-26-9-5-19(27-4,6-10-26)17-23-15(24-29-17)13-11-20-7-8-21-13/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 399.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128973556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).