1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide

C17H25N5O3 — CID 46948035

IUPAC1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C17H25N5O3/c1-5-18-16(23)17(4)7-6-8-22(10-17)9-13-19-15(25-21-13)14-11(2)20-24-12(14)3/h5-10H2,1-4H3,(H,18,23)
InChIKeyZWRDCKXGSPXXBI-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.08
Rot. Bonds5

About 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide

1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide (PubChem CID 46948035) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
PubChem CID46948035
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C17H25N5O3/c1-5-18-16(23)17(4)7-6-8-22(10-17)9-13-19-15(25-21-13)14-11(2)20-24-12(14)3/h5-10H2,1-4H3,(H,18,23)
InChIKeyZWRDCKXGSPXXBI-UHFFFAOYSA-N
XLogP2.08
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide (CID 46948035) is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide is CCNC(=O)C1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1.
What is the InChIKey of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The InChIKey is ZWRDCKXGSPXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-5-18-16(23)17(4)7-6-8-22(10-17)9-13-19-15(25-21-13)14-11(2)20-24-12(14)3/h5-10H2,1-4H3,(H,18,23).
What are the key properties of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46948035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).