4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole

C16H9Cl2NO3 — CID 21409146

IUPAC4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole
SMILESClc1cccc(-c2oc(Cl)nc2-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-2-10(6-11)15-14(19-16(18)22-15)9-4-5-12-13(7-9)21-8-20-12/h1-7H,8H2
InChIKeyZOPAWFAZJZIGOD-UHFFFAOYSA-N
MW334.16 g/mol
LogP5.04
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole

4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole (PubChem CID 21409146) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole
PubChem CID21409146
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole
SMILESClc1cccc(-c2oc(Cl)nc2-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-2-10(6-11)15-14(19-16(18)22-15)9-4-5-12-13(7-9)21-8-20-12/h1-7H,8H2
InChIKeyZOPAWFAZJZIGOD-UHFFFAOYSA-N
XLogP5.04
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.16
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzodioxol-5-yl)-5-(3-chlorophenyl)-3H-1,3-oxazole-2-thione
CID 21408852
6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
CID 140533892
2,3-bis(1,3-benzodioxol-5-yl)phenanthro[9,10-b]pyrazine
CID 59695647
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146
7-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56920453
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 8966777
2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]butanoic acid
CID 21408924

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole (CID 21409146) is 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole is Clc1cccc(-c2oc(Cl)nc2-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole?
The InChIKey is ZOPAWFAZJZIGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-3-1-2-10(6-11)15-14(19-16(18)22-15)9-4-5-12-13(7-9)21-8-20-12/h1-7H,8H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole?
4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole has a molecular weight of 334.16 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 21409146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).