2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one

C19H14FN3O2 — CID 54756209

IUPAC2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(CCc2ncc(-c3cccc(F)c3)[nH]2)nc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-13-5-3-4-12(10-13)16-11-21-17(22-16)8-9-18-23-15-7-2-1-6-14(15)19(24)25-18/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyGSFOCRDHHSJGAI-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one

2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one (PubChem CID 54756209) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one
PubChem CID54756209
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(CCc2ncc(-c3cccc(F)c3)[nH]2)nc2ccccc12
InChIInChI=1S/C19H14FN3O2/c20-13-5-3-4-12(10-13)16-11-21-17(22-16)8-9-18-23-15-7-2-1-6-14(15)19(24)25-18/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyGSFOCRDHHSJGAI-UHFFFAOYSA-N
XLogP3.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one (CID 54756209) is 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one is O=c1oc(CCc2ncc(-c3cccc(F)c3)[nH]2)nc2ccccc12.
What is the InChIKey of 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one?
The InChIKey is GSFOCRDHHSJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-13-5-3-4-12(10-13)16-11-21-17(22-16)8-9-18-23-15-7-2-1-6-14(15)19(24)25-18/h1-7,10-11H,8-9H2,(H,21,22).
What are the key properties of 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one?
2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one has a molecular weight of 335.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 54756209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).