2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C15H17FN2O — CID 146634257

IUPAC2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCC(C)c1cccc(-c2cn3c(n2)COCC3)c1F
InChIInChI=1S/C15H17FN2O/c1-10(2)11-4-3-5-12(15(11)16)13-8-18-6-7-19-9-14(18)17-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyKPAAUSXSEMJLCZ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.34
Rot. Bonds2

About 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 146634257) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID146634257
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCC(C)c1cccc(-c2cn3c(n2)COCC3)c1F
InChIInChI=1S/C15H17FN2O/c1-10(2)11-4-3-5-12(15(11)16)13-8-18-6-7-19-9-14(18)17-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyKPAAUSXSEMJLCZ-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 146634257) is 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is CC(C)c1cccc(-c2cn3c(n2)COCC3)c1F.
What is the InChIKey of 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is KPAAUSXSEMJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(2)11-4-3-5-12(15(11)16)13-8-18-6-7-19-9-14(18)17-13/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 260.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-propan-2-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 146634257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).