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

C19H29N5O3 — CID 131931577

IUPAC2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCN(Cc3noc(CC(C)C)n3)C2)o1
InChIInChI=1S/C19H29N5O3/c1-12(2)8-17-22-16(23-27-17)11-24-7-5-6-15(10-24)9-20-19(25)18-13(3)21-14(4)26-18/h12,15H,5-11H2,1-4H3,(H,20,25)
InChIKeyLDZZJIKCSOKPOO-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.51
Rot. Bonds7

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

2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 131931577) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID131931577
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCN(Cc3noc(CC(C)C)n3)C2)o1
InChIInChI=1S/C19H29N5O3/c1-12(2)8-17-22-16(23-27-17)11-24-7-5-6-15(10-24)9-20-19(25)18-13(3)21-14(4)26-18/h12,15H,5-11H2,1-4H3,(H,20,25)
InChIKeyLDZZJIKCSOKPOO-UHFFFAOYSA-N
XLogP2.51
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 63847274
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780847
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630
2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 138035355
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 131931577) is 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCN(Cc3noc(CC(C)C)n3)C2)o1.
What is the InChIKey of 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is LDZZJIKCSOKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12(2)8-17-22-16(23-27-17)11-24-7-5-6-15(10-24)9-20-19(25)18-13(3)21-14(4)26-18/h12,15H,5-11H2,1-4H3,(H,20,25).
What are the key properties of 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131931577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).