4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine

C22H32N4O2 — CID 162477851

IUPAC4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1-c1nc(N2CCC(N3CCOCC3)CC2)no1
InChIInChI=1S/C22H32N4O2/c1-16-15-17(22(2,3)4)5-6-19(16)20-23-21(24-28-20)26-9-7-18(8-10-26)25-11-13-27-14-12-25/h5-6,15,18H,7-14H2,1-4H3
InChIKeyKNNAKKJIYJMTGU-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.64
Rot. Bonds3

About 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine

4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (PubChem CID 162477851) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
PubChem CID162477851
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
SMILESCc1cc(C(C)(C)C)ccc1-c1nc(N2CCC(N3CCOCC3)CC2)no1
InChIInChI=1S/C22H32N4O2/c1-16-15-17(22(2,3)4)5-6-19(16)20-23-21(24-28-20)26-9-7-18(8-10-26)25-11-13-27-14-12-25/h5-6,15,18H,7-14H2,1-4H3
InChIKeyKNNAKKJIYJMTGU-UHFFFAOYSA-N
XLogP3.64
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 146552774
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 146552480
4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477820
4-[1-[5-(4-ethenyl-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 163550170
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 149228588
4-[1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]morpholine
CID 134713018
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
2,4-dimethyl-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116806836

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine (CID 162477851) is 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is Cc1cc(C(C)(C)C)ccc1-c1nc(N2CCC(N3CCOCC3)CC2)no1.
What is the InChIKey of 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
The InChIKey is KNNAKKJIYJMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-15-17(22(2,3)4)5-6-19(16)20-23-21(24-28-20)26-9-7-18(8-10-26)25-11-13-27-14-12-25/h5-6,15,18H,7-14H2,1-4H3.
What are the key properties of 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine?
4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine has a molecular weight of 384.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 162477851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).