N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine

C19H21ClN4O3 — CID 25452798

IUPACN-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C
InChIInChI=1S/C19H21ClN4O3/c1-3-23(7-8-24-6-4-5-21-24)11-16-13(2)27-19(22-16)14-9-17-18(10-15(14)20)26-12-25-17/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyMAUNBRZHYNWVSS-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.75
Rot. Bonds7

About N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine

N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine (PubChem CID 25452798) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
PubChem CID25452798
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C
InChIInChI=1S/C19H21ClN4O3/c1-3-23(7-8-24-6-4-5-21-24)11-16-13(2)27-19(22-16)14-9-17-18(10-15(14)20)26-12-25-17/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyMAUNBRZHYNWVSS-UHFFFAOYSA-N
XLogP3.75
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine 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-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine (CID 25452798) is N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C.
What is the InChIKey of N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
The InChIKey is MAUNBRZHYNWVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-23(7-8-24-6-4-5-21-24)11-16-13(2)27-19(22-16)14-9-17-18(10-15(14)20)26-12-25-17/h4-6,9-10H,3,7-8,11-12H2,1-2H3.
What are the key properties of N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine?
N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine has a molecular weight of 388.86 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 25452798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).