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

C18H27N5O3 — CID 46942659

IUPAC1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C18H27N5O3/c1-5-8-19-17(24)18(4)7-6-9-23(11-18)10-14-20-16(26-22-14)15-12(2)21-25-13(15)3/h5-11H2,1-4H3,(H,19,24)
InChIKeyGRQLWAWXKWPDQE-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.47
Rot. Bonds6

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

1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 46942659) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID46942659
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C18H27N5O3/c1-5-8-19-17(24)18(4)7-6-9-23(11-18)10-14-20-16(26-22-14)15-12(2)21-25-13(15)3/h5-11H2,1-4H3,(H,19,24)
InChIKeyGRQLWAWXKWPDQE-UHFFFAOYSA-N
XLogP2.47
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide (CID 46942659) is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-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]-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide is CCCNC(=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]-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is GRQLWAWXKWPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-5-8-19-17(24)18(4)7-6-9-23(11-18)10-14-20-16(26-22-14)15-12(2)21-25-13(15)3/h5-11H2,1-4H3,(H,19,24).
What are the key properties of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide?
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.47, 6 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]-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 46942659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).