azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone

C21H19FN4O2 — CID 58522807

IUPACazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone
SMILESO=C(c1ccc2c(-c3cnc4ccc(F)cn34)noc2c1)N1CCCCCC1
InChIInChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
InChIKeyBJPPZBFNKQTDEC-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.30
Rot. Bonds2

About azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone

azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone (PubChem CID 58522807) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone
PubChem CID58522807
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone
SMILESO=C(c1ccc2c(-c3cnc4ccc(F)cn34)noc2c1)N1CCCCCC1
InChIInChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
InChIKeyBJPPZBFNKQTDEC-UHFFFAOYSA-N
XLogP4.30
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone (CID 58522807) is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone is O=C(c1ccc2c(-c3cnc4ccc(F)cn34)noc2c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone?
The InChIKey is BJPPZBFNKQTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2.
What are the key properties of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone?
azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone has a molecular weight of 378.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]methanone is sourced from PubChem (CID 58522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).