N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide

C18H23N3O4 — CID 119643418

IUPACN-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H23N3O4/c1-3-18(19,4-2)10-20-17(22)15-16(25-11-21-15)12-5-6-13-14(9-12)24-8-7-23-13/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,20,22)
InChIKeyNHMVDKJLOPOGMX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.36
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 119643418) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID119643418
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H23N3O4/c1-3-18(19,4-2)10-20-17(22)15-16(25-11-21-15)12-5-6-13-14(9-12)24-8-7-23-13/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,20,22)
InChIKeyNHMVDKJLOPOGMX-UHFFFAOYSA-N
XLogP2.36
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-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 N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide (CID 119643418) is N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide is CCC(N)(CC)CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is NHMVDKJLOPOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-18(19,4-2)10-20-17(22)15-16(25-11-21-15)12-5-6-13-14(9-12)24-8-7-23-13/h5-6,9,11H,3-4,7-8,10,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 119643418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).