8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C12H10F2N2O — CID 23651542

IUPAC8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2OCCn3cncc32)cc1F
InChIInChI=1S/C12H10F2N2O/c13-9-2-1-8(5-10(9)14)12-11-6-15-7-16(11)3-4-17-12/h1-2,5-7,12H,3-4H2
InChIKeyCMVKJSUJOCAJSQ-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.28
Rot. Bonds1

About 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 23651542) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID23651542
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2OCCn3cncc32)cc1F
InChIInChI=1S/C12H10F2N2O/c13-9-2-1-8(5-10(9)14)12-11-6-15-7-16(11)3-4-17-12/h1-2,5-7,12H,3-4H2
InChIKeyCMVKJSUJOCAJSQ-UHFFFAOYSA-N
XLogP2.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 23651542) is 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccc(C2OCCn3cncc32)cc1F.
What is the InChIKey of 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is CMVKJSUJOCAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-2-1-8(5-10(9)14)12-11-6-15-7-16(11)3-4-17-12/h1-2,5-7,12H,3-4H2.
What are the key properties of 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 236.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 23651542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).