5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole

C17H13NO3 — CID 102314200

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ccc4c(c3)OCCO4)o2)cc1
InChIInChI=1S/C17H13NO3/c1-2-4-12(5-3-1)17-18-11-16(21-17)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10-11H,8-9H2
InChIKeyDSEAGMGNSYVRAL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.78
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole (PubChem CID 102314200) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
PubChem CID102314200
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ccc4c(c3)OCCO4)o2)cc1
InChIInChI=1S/C17H13NO3/c1-2-4-12(5-3-1)17-18-11-16(21-17)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10-11H,8-9H2
InChIKeyDSEAGMGNSYVRAL-UHFFFAOYSA-N
XLogP3.78
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-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

2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 100818191
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
CID 100802212
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
5-(5-methylthiophen-2-yl)-2-phenyl-1,3-oxazole
CID 14424350
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole (CID 102314200) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole is c1ccc(-c2ncc(-c3ccc4c(c3)OCCO4)o2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole?
The InChIKey is DSEAGMGNSYVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-2-4-12(5-3-1)17-18-11-16(21-17)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10-11H,8-9H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole has a molecular weight of 279.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 102314200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).