2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide

C13H21N3O2 — CID 77092028

IUPAC2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCCCC2)o1
InChIInChI=1S/C13H21N3O2/c1-10-12(18-11(2)15-10)13(17)14-6-9-16-7-4-3-5-8-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyQBGHPEIHOGEMQX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide (PubChem CID 77092028) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
PubChem CID77092028
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCN2CCCCC2)o1
InChIInChI=1S/C13H21N3O2/c1-10-12(18-11(2)15-10)13(17)14-6-9-16-7-4-3-5-8-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyQBGHPEIHOGEMQX-UHFFFAOYSA-N
XLogP1.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-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 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide (CID 77092028) is 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCN2CCCCC2)o1.
What is the InChIKey of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is QBGHPEIHOGEMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-12(18-11(2)15-10)13(17)14-6-9-16-7-4-3-5-8-16/h3-9H2,1-2H3,(H,14,17).
What are the key properties of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 77092028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).