3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole

C18H16ClNO3 — CID 53361341

IUPAC3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole
SMILESCOc1cc2c(cc1OC)C1=NOC(c3ccc(Cl)cc3)C1C2
InChIInChI=1S/C18H16ClNO3/c1-21-15-8-11-7-14-17(13(11)9-16(15)22-2)20-23-18(14)10-3-5-12(19)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyYUODXULBNJCVAT-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.01
Rot. Bonds3

About 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole

3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole (PubChem CID 53361341) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole
PubChem CID53361341
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole
SMILESCOc1cc2c(cc1OC)C1=NOC(c3ccc(Cl)cc3)C1C2
InChIInChI=1S/C18H16ClNO3/c1-21-15-8-11-7-14-17(13(11)9-16(15)22-2)20-23-18(14)10-3-5-12(19)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyYUODXULBNJCVAT-UHFFFAOYSA-N
XLogP4.01
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole 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 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole?
The IUPAC name of 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole (CID 53361341) is 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole is COc1cc2c(cc1OC)C1=NOC(c3ccc(Cl)cc3)C1C2.
What is the InChIKey of 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole?
The InChIKey is YUODXULBNJCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-21-15-8-11-7-14-17(13(11)9-16(15)22-2)20-23-18(14)10-3-5-12(19)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole?
3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole has a molecular weight of 329.78 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c][1,2]oxazole is sourced from PubChem (CID 53361341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).