7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

C15H12N2O — CID 54613104

IUPAC7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESc1ccc(-n2cc3c(c2)-c2oncc2CC3)cc1
InChIInChI=1S/C15H12N2O/c1-2-4-13(5-3-1)17-9-12-7-6-11-8-16-18-15(11)14(12)10-17/h1-5,8-10H,6-7H2
InChIKeyKWPUKDXUSXSKRK-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.23
Rot. Bonds1

About 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 54613104) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID54613104
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESc1ccc(-n2cc3c(c2)-c2oncc2CC3)cc1
InChIInChI=1S/C15H12N2O/c1-2-4-13(5-3-1)17-9-12-7-6-11-8-16-18-15(11)14(12)10-17/h1-5,8-10H,6-7H2
InChIKeyKWPUKDXUSXSKRK-UHFFFAOYSA-N
XLogP3.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 54613104) is 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is c1ccc(-n2cc3c(c2)-c2oncc2CC3)cc1.
What is the InChIKey of 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is KWPUKDXUSXSKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)17-9-12-7-6-11-8-16-18-15(11)14(12)10-17/h1-5,8-10H,6-7H2.
What are the key properties of 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 236.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 54613104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).