4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine

C11H9FN2O3 — CID 117344235

IUPAC4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)COCO2
InChIInChI=1S/C11H9FN2O3/c12-9-1-6-4-15-5-16-10(6)2-7(9)8-3-14-17-11(8)13/h1-3H,4-5,13H2
InChIKeyKLQDFLWLJNFYDW-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.93
Rot. Bonds1

About 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine

4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine (PubChem CID 117344235) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
PubChem CID117344235
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)COCO2
InChIInChI=1S/C11H9FN2O3/c12-9-1-6-4-15-5-16-10(6)2-7(9)8-3-14-17-11(8)13/h1-3H,4-5,13H2
InChIKeyKLQDFLWLJNFYDW-UHFFFAOYSA-N
XLogP1.93
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211
4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
CID 117336149
6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
CID 117313712
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117349722
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
4-(2,5-dichloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 117369363
N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117288231

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine (CID 117344235) is 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc2c(cc1F)COCO2.
What is the InChIKey of 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The InChIKey is KLQDFLWLJNFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-9-1-6-4-15-5-16-10(6)2-7(9)8-3-14-17-11(8)13/h1-3H,4-5,13H2.
What are the key properties of 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine?
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine has a molecular weight of 236.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117344235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).