5H-pyrrolo[3,2-f][1,3]benzoxazole

C9H6N2O — CID 22599152

IUPAC5H-pyrrolo[3,2-f][1,3]benzoxazole
SMILESc1cc2cc3ncoc3cc2[nH]1
InChIInChI=1S/C9H6N2O/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-5,10H
InChIKeyITNYOYQGOBUCOE-UHFFFAOYSA-N
MW158.16 g/mol
LogP2.31
Rot. Bonds

About 5H-pyrrolo[3,2-f][1,3]benzoxazole

5H-pyrrolo[3,2-f][1,3]benzoxazole (PubChem CID 22599152) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name5H-pyrrolo[3,2-f][1,3]benzoxazole
PubChem CID22599152
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name5H-pyrrolo[3,2-f][1,3]benzoxazole
SMILESc1cc2cc3ncoc3cc2[nH]1
InChIInChI=1S/C9H6N2O/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-5,10H
InChIKeyITNYOYQGOBUCOE-UHFFFAOYSA-N
XLogP2.31
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
CID 171099892
1H-pyrrolo[3,2-g]quinoline;dihydrobromide
CID 67935451
5H-imidazo[4,5-g]quinoline
CID 135437277
5,6-dichloro-1H-indole
CID 10487776
1,3-benzoxazol-6-amine
CID 584120
1H-benzimidazole;1,3-benzoxazole;stannane
CID 161094065
CID 143215043
CID 143215043
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
5-chloro-6-fluoro-1,3-benzoxazole
CID 91514381
1H-pyrrolo[3,2-c]pyridin-6-ylphosphane
CID 138713057
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254

Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[3,2-f][1,3]benzoxazole?
The IUPAC name of 5H-pyrrolo[3,2-f][1,3]benzoxazole (CID 22599152) is 5H-pyrrolo[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 5H-pyrrolo[3,2-f][1,3]benzoxazole?
The canonical SMILES for 5H-pyrrolo[3,2-f][1,3]benzoxazole is c1cc2cc3ncoc3cc2[nH]1.
What is the InChIKey of 5H-pyrrolo[3,2-f][1,3]benzoxazole?
The InChIKey is ITNYOYQGOBUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-5,10H.
What are the key properties of 5H-pyrrolo[3,2-f][1,3]benzoxazole?
5H-pyrrolo[3,2-f][1,3]benzoxazole has a molecular weight of 158.16 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 22599152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).