3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide

C12H10FN3O2 — CID 141378464

IUPAC3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
SMILESNC(=O)c1nc2n(c1F)CCOc1ccccc1-2
InChIInChI=1S/C12H10FN3O2/c13-10-9(11(14)17)15-12-7-3-1-2-4-8(7)18-6-5-16(10)12/h1-4H,5-6H2,(H2,14,17)
InChIKeyUDWCLNFAHVCZBK-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.18
Rot. Bonds1

About 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide

3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide (PubChem CID 141378464) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
PubChem CID141378464
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
SMILESNC(=O)c1nc2n(c1F)CCOc1ccccc1-2
InChIInChI=1S/C12H10FN3O2/c13-10-9(11(14)17)15-12-7-3-1-2-4-8(7)18-6-5-16(10)12/h1-4H,5-6H2,(H2,14,17)
InChIKeyUDWCLNFAHVCZBK-UHFFFAOYSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The IUPAC name of 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide (CID 141378464) is 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide.
What is the SMILES notation for 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The canonical SMILES for 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide is NC(=O)c1nc2n(c1F)CCOc1ccccc1-2.
What is the InChIKey of 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The InChIKey is UDWCLNFAHVCZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-9(11(14)17)15-12-7-3-1-2-4-8(7)18-6-5-16(10)12/h1-4H,5-6H2,(H2,14,17).
What are the key properties of 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide is sourced from PubChem (CID 141378464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).