5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

C13H20N2O3 — CID 53195191

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H20N2O3/c1-8(2)13-15-11(9(3)18-13)12(16)14-7-10-5-4-6-17-10/h8,10H,4-7H2,1-3H3,(H,14,16)
InChIKeyKSPCJWGRGWOUDI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.02
Rot. Bonds4

About 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195191) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195191
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H20N2O3/c1-8(2)13-15-11(9(3)18-13)12(16)14-7-10-5-4-6-17-10/h8,10H,4-7H2,1-3H3,(H,14,16)
InChIKeyKSPCJWGRGWOUDI-UHFFFAOYSA-N
XLogP2.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-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 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195191) is 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCC1CCCO1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KSPCJWGRGWOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)13-15-11(9(3)18-13)12(16)14-7-10-5-4-6-17-10/h8,10H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).