5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride

C25H32ClN5O2 — CID 162725376

IUPAC5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCc1cc(-c2ccncc2C2CCNCC2)ccc1CNC(=O)c1noc(C(C)(C)C)n1.Cl
InChIInChI=1S/C25H31N5O2.ClH/c1-16-13-18(20-9-12-27-15-21(20)17-7-10-26-11-8-17)5-6-19(16)14-28-23(31)22-29-24(32-30-22)25(2,3)4;/h5-6,9,12-13,15,17,26H,7-8,10-11,14H2,1-4H3,(H,28,31);1H
InChIKeyQTITWROXDNUHII-UHFFFAOYSA-N
MW470.02 g/mol
LogP4.56
Rot. Bonds5

About 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride

5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 162725376) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
PubChem CID162725376
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC Name5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCc1cc(-c2ccncc2C2CCNCC2)ccc1CNC(=O)c1noc(C(C)(C)C)n1.Cl
InChIInChI=1S/C25H31N5O2.ClH/c1-16-13-18(20-9-12-27-15-21(20)17-7-10-26-11-8-17)5-6-19(16)14-28-23(31)22-29-24(32-30-22)25(2,3)4;/h5-6,9,12-13,15,17,26H,7-8,10-11,14H2,1-4H3,(H,28,31);1H
InChIKeyQTITWROXDNUHII-UHFFFAOYSA-N
XLogP4.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-N-[[4-[3-(2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162724965
5-tert-butyl-N-[[2-methyl-4-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162725200
5-tert-butyl-N-[[4-(3-fluoro-5-piperazin-1-yl-4-pyridinyl)-2-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 162725276
5-tert-butyl-N-[[2-methyl-4-[3-[4-[(E)-4,4,4-trifluorobut-2-enoyl]piperazin-1-yl]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 162725093
5-tert-butyl-N-[[2-methyl-4-[3-[[(2R)-1-prop-2-enoylpiperidine-2-carbonyl]amino]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 156538621
tert-butyl (2R)-2-[[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-methylphenyl]-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 156560930
N-[[4-[5-(2-bromoethoxy)pyrimidin-4-yl]-2-methylphenyl]methyl]-5-tert-butyl-1,2,4-oxadiazole-3-carboxamide
CID 156561227
2-tert-butyl-3-[4-[3-methyl-4-[[[5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carbonyl]amino]methyl]phenyl]-3-pyridinyl]piperidine-1-carboxylic acid
CID 175499794
5-tert-butyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 135204492
tert-butyl 4-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-methylphenyl]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 162725315
1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide
CID 156561097
3-[1-(fluoromethyl)cyclopropyl]-N-[[2-methyl-4-(3-piperazin-1-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 162725151

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride (CID 162725376) is 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride is Cc1cc(-c2ccncc2C2CCNCC2)ccc1CNC(=O)c1noc(C(C)(C)C)n1.Cl.
What is the InChIKey of 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is QTITWROXDNUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2.ClH/c1-16-13-18(20-9-12-27-15-21(20)17-7-10-26-11-8-17)5-6-19(16)14-28-23(31)22-29-24(32-30-22)25(2,3)4;/h5-6,9,12-13,15,17,26H,7-8,10-11,14H2,1-4H3,(H,28,31);1H.
What are the key properties of 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 470.02 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 162725376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).