5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C17H25N5O3 — CID 51097256

IUPAC5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3nc(CC(C)C)no3)CC2)no1
InChIInChI=1S/C17H25N5O3/c1-11(2)8-15-19-16(25-21-15)10-22-6-4-13(5-7-22)18-17(23)14-9-12(3)24-20-14/h9,11,13H,4-8,10H2,1-3H3,(H,18,23)
InChIKeyJEPCPHNRPWKLLT-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.96
Rot. Bonds6

About 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 51097256) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID51097256
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3nc(CC(C)C)no3)CC2)no1
InChIInChI=1S/C17H25N5O3/c1-11(2)8-15-19-16(25-21-15)10-22-6-4-13(5-7-22)18-17(23)14-9-12(3)24-20-14/h9,11,13H,4-8,10H2,1-3H3,(H,18,23)
InChIKeyJEPCPHNRPWKLLT-UHFFFAOYSA-N
XLogP1.96
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51100554
4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448670
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55537974
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
2-[[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]piperidin-1-yl]methyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 166356591
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 51097256) is 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3nc(CC(C)C)no3)CC2)no1.
What is the InChIKey of 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JEPCPHNRPWKLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(2)8-15-19-16(25-21-15)10-22-6-4-13(5-7-22)18-17(23)14-9-12(3)24-20-14/h9,11,13H,4-8,10H2,1-3H3,(H,18,23).
What are the key properties of 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51097256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).