3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C22H23NO4 — CID 71463480

IUPAC3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1
InChIInChI=1S/C22H23NO4/c1-22(2)12-11-17-19(26-22)10-9-16(21(17)25-4)18-13-20(27-23-18)14-5-7-15(24-3)8-6-14/h5-12,20H,13H2,1-4H3
InChIKeyLNLOREVTGJHTNX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.75
Rot. Bonds4

About 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71463480) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71463480
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1
InChIInChI=1S/C22H23NO4/c1-22(2)12-11-17-19(26-22)10-9-16(21(17)25-4)18-13-20(27-23-18)14-5-7-15(24-3)8-6-14/h5-12,20H,13H2,1-4H3
InChIKeyLNLOREVTGJHTNX-UHFFFAOYSA-N
XLogP4.75
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-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-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 71463480) is 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1.
What is the InChIKey of 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LNLOREVTGJHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2)12-11-17-19(26-22)10-9-16(21(17)25-4)18-13-20(27-23-18)14-5-7-15(24-3)8-6-14/h5-12,20H,13H2,1-4H3.
What are the key properties of 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 365.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,2-dimethylchromen-6-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71463480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).