5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole

C10H7F2NO3 — CID 172693230

IUPAC5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole
SMILESFc1c(C2OCCO2)cc2cnoc2c1F
InChIInChI=1S/C10H7F2NO3/c11-7-6(10-14-1-2-15-10)3-5-4-13-16-9(5)8(7)12/h3-4,10H,1-2H2
InChIKeyBYSWWYMEWFCNBR-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.15
Rot. Bonds1

About 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole

5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole (PubChem CID 172693230) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole
PubChem CID172693230
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole
SMILESFc1c(C2OCCO2)cc2cnoc2c1F
InChIInChI=1S/C10H7F2NO3/c11-7-6(10-14-1-2-15-10)3-5-4-13-16-9(5)8(7)12/h3-4,10H,1-2H2
InChIKeyBYSWWYMEWFCNBR-UHFFFAOYSA-N
XLogP2.15
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]ethane-1,1-diol
CID 146539177
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-amine;3-methoxybutan-1-ol
CID 144673331
(2R)-2-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]butan-1-ol
CID 146499692
3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one
CID 146499720
3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-(iodomethyl)-1,3-thiazol-2-one
CID 146499721
2-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]-2-(oxan-4-yl)ethanol
CID 90284153
(3aR,7aS)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one
CID 146499738
3-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]-4-methoxybutan-2-ol
CID 123720855
(2S)-2-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]-2-phenylethanol
CID 146539722
(4S)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-ethyl-1,3-thiazolidin-2-one
CID 146539184
S-[2-[[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]amino]propyl] ethanethioate
CID 146539155

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole (CID 172693230) is 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole is Fc1c(C2OCCO2)cc2cnoc2c1F.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole?
The InChIKey is BYSWWYMEWFCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-7-6(10-14-1-2-15-10)3-5-4-13-16-9(5)8(7)12/h3-4,10H,1-2H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole?
5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole has a molecular weight of 227.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazole is sourced from PubChem (CID 172693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).