3-(furan-2-yl)-1,4-benzoxazin-2-one

C12H7NO3 — CID 164680158

IUPAC3-(furan-2-yl)-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1-c1ccco1
InChIInChI=1S/C12H7NO3/c14-12-11(10-6-3-7-15-10)13-8-4-1-2-5-9(8)16-12/h1-7H
InChIKeySUZVDBPRHRTRJQ-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.45
Rot. Bonds1

About 3-(furan-2-yl)-1,4-benzoxazin-2-one

3-(furan-2-yl)-1,4-benzoxazin-2-one (PubChem CID 164680158) has the molecular formula C12H7NO3 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(furan-2-yl)-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1,4-benzoxazin-2-one
PubChem CID164680158
Molecular FormulaC12H7NO3
Molecular Weight213.19 g/mol
Exact Mass213.04
IUPAC Name3-(furan-2-yl)-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1-c1ccco1
InChIInChI=1S/C12H7NO3/c14-12-11(10-6-3-7-15-10)13-8-4-1-2-5-9(8)16-12/h1-7H
InChIKeySUZVDBPRHRTRJQ-UHFFFAOYSA-N
XLogP2.45
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1,4-benzoxazin-2-one
CID 72696232
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
6,7-bis(furan-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-one
CID 102200324
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
2,3-bis(furan-2-yl)quinoxalin-5-ol
CID 135525871
3-ethyl-1,4-benzoxazin-2-one
CID 86094198
2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
CID 10562741
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 32758499
1-nitrophenoxazin-3-one
CID 56623997
phenoxazin-1-imine
CID 86103991
1,2,4-trichlorophenoxazin-3-one
CID 56606166

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1,4-benzoxazin-2-one?
The IUPAC name of 3-(furan-2-yl)-1,4-benzoxazin-2-one (CID 164680158) is 3-(furan-2-yl)-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-(furan-2-yl)-1,4-benzoxazin-2-one?
The canonical SMILES for 3-(furan-2-yl)-1,4-benzoxazin-2-one is O=c1oc2ccccc2nc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1,4-benzoxazin-2-one?
The InChIKey is SUZVDBPRHRTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3/c14-12-11(10-6-3-7-15-10)13-8-4-1-2-5-9(8)16-12/h1-7H.
What are the key properties of 3-(furan-2-yl)-1,4-benzoxazin-2-one?
3-(furan-2-yl)-1,4-benzoxazin-2-one has a molecular weight of 213.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1,4-benzoxazin-2-one is sourced from PubChem (CID 164680158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).