4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine

C12H11FN2O3 — CID 117378364

IUPAC4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)OCCCO2
InChIInChI=1S/C12H11FN2O3/c13-9-5-11-10(16-2-1-3-17-11)4-7(9)8-6-15-18-12(8)14/h4-6H,1-3,14H2
InChIKeyUKYJKNCPXNWICH-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.22
Rot. Bonds1

About 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine

4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine (PubChem CID 117378364) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
PubChem CID117378364
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)OCCCO2
InChIInChI=1S/C12H11FN2O3/c13-9-5-11-10(16-2-1-3-17-11)4-7(9)8-6-15-18-12(8)14/h4-6H,1-3,14H2
InChIKeyUKYJKNCPXNWICH-UHFFFAOYSA-N
XLogP2.22
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
CID 117336149
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine (CID 117378364) is 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc2c(cc1F)OCCCO2.
What is the InChIKey of 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine?
The InChIKey is UKYJKNCPXNWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-5-11-10(16-2-1-3-17-11)4-7(9)8-6-15-18-12(8)14/h4-6H,1-3,14H2.
What are the key properties of 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine?
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine has a molecular weight of 250.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117378364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).