5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine

C15H15FN4O — CID 128995795

IUPAC5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCC3CCc4nccn4C3)nc2c1
InChIInChI=1S/C15H15FN4O/c16-11-2-3-13-12(7-11)19-15(21-13)18-8-10-1-4-14-17-5-6-20(14)9-10/h2-3,5-7,10H,1,4,8-9H2,(H,18,19)
InChIKeyBPSHOFSVIHAGIA-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.84
Rot. Bonds3

About 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine

5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 128995795) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID128995795
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCC3CCc4nccn4C3)nc2c1
InChIInChI=1S/C15H15FN4O/c16-11-2-3-13-12(7-11)19-15(21-13)18-8-10-1-4-14-17-5-6-20(14)9-10/h2-3,5-7,10H,1,4,8-9H2,(H,18,19)
InChIKeyBPSHOFSVIHAGIA-UHFFFAOYSA-N
XLogP2.84
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine (CID 128995795) is 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine is Fc1ccc2oc(NCC3CCc4nccn4C3)nc2c1.
What is the InChIKey of 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is BPSHOFSVIHAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-11-2-3-13-12(7-11)19-15(21-13)18-8-10-1-4-14-17-5-6-20(14)9-10/h2-3,5-7,10H,1,4,8-9H2,(H,18,19).
What are the key properties of 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine?
5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 286.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128995795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).