4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one

C16H16FN3O3 — CID 138511072

IUPAC4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3CF)nc1-2
InChIInChI=1S/C16H16FN3O3/c1-10-2-3-12-13(6-10)22-5-4-19-8-14(18-15(12)19)20-11(7-17)9-23-16(20)21/h2-3,6,8,11H,4-5,7,9H2,1H3
InChIKeyLHBJABSEDULLFY-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.55
Rot. Bonds2

About 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one

4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 138511072) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
PubChem CID138511072
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3CF)nc1-2
InChIInChI=1S/C16H16FN3O3/c1-10-2-3-12-13(6-10)22-5-4-19-8-14(18-15(12)19)20-11(7-17)9-23-16(20)21/h2-3,6,8,11H,4-5,7,9H2,1H3
InChIKeyLHBJABSEDULLFY-UHFFFAOYSA-N
XLogP2.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one (CID 138511072) is 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one is Cc1ccc2c(c1)OCCn1cc(N3C(=O)OCC3CF)nc1-2.
What is the InChIKey of 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is LHBJABSEDULLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-2-3-12-13(6-10)22-5-4-19-8-14(18-15(12)19)20-11(7-17)9-23-16(20)21/h2-3,6,8,11H,4-5,7,9H2,1H3.
What are the key properties of 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one?
4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 317.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 138511072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).