2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide

C13H17N3O2 — CID 162432678

IUPAC2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide
SMILESCCN(C)C(=O)c1cccc2oc(N(C)C)nc12
InChIInChI=1S/C13H17N3O2/c1-5-16(4)12(17)9-7-6-8-10-11(9)14-13(18-10)15(2)3/h6-8H,5H2,1-4H3
InChIKeyUXESVKVHTBNTSC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.99
Rot. Bonds3

About 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide

2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide (PubChem CID 162432678) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide
PubChem CID162432678
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide
SMILESCCN(C)C(=O)c1cccc2oc(N(C)C)nc12
InChIInChI=1S/C13H17N3O2/c1-5-16(4)12(17)9-7-6-8-10-11(9)14-13(18-10)15(2)3/h6-8H,5H2,1-4H3
InChIKeyUXESVKVHTBNTSC-UHFFFAOYSA-N
XLogP1.99
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-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 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide (CID 162432678) is 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide is CCN(C)C(=O)c1cccc2oc(N(C)C)nc12.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide?
The InChIKey is UXESVKVHTBNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-16(4)12(17)9-7-6-8-10-11(9)14-13(18-10)15(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide?
2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethyl-N-methyl-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 162432678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).