N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H16N2O5 — CID 3163795

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O5/c21-17(19-10-12-5-6-15-16(9-12)24-11-23-15)7-8-20-13-3-1-2-4-14(13)25-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyZDXUUIKUKXQSEN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.03
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163795) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163795
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O5/c21-17(19-10-12-5-6-15-16(9-12)24-11-23-15)7-8-20-13-3-1-2-4-14(13)25-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyZDXUUIKUKXQSEN-UHFFFAOYSA-N
XLogP2.03
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide 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-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163795) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is ZDXUUIKUKXQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-17(19-10-12-5-6-15-16(9-12)24-11-23-15)7-8-20-13-3-1-2-4-14(13)25-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 340.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).