[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

C19H16FN5O3 — CID 70798725

IUPAC[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c(F)cc2o1
InChIInChI=1S/C19H16FN5O3/c20-13-8-16-14(23-19(21)28-16)7-12(13)11-1-2-17-22-9-15(25(17)10-11)18(26)24-3-5-27-6-4-24/h1-2,7-10H,3-6H2,(H2,21,23)
InChIKeyPGVVNWUOEMWQNW-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.34
Rot. Bonds2

About [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 70798725) has the molecular formula C19H16FN5O3 and a molecular weight of 381.37 g/mol. Its IUPAC name is [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID70798725
Molecular FormulaC19H16FN5O3
Molecular Weight381.37 g/mol
Exact Mass381.12
IUPAC Name[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c(F)cc2o1
InChIInChI=1S/C19H16FN5O3/c20-13-8-16-14(23-19(21)28-16)7-12(13)11-1-2-17-22-9-15(25(17)10-11)18(26)24-3-5-27-6-4-24/h1-2,7-10H,3-6H2,(H2,21,23)
InChIKeyPGVVNWUOEMWQNW-UHFFFAOYSA-N
XLogP2.34
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 70798725) is [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c(F)cc2o1.
What is the InChIKey of [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PGVVNWUOEMWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3/c20-13-8-16-14(23-19(21)28-16)7-12(13)11-1-2-17-22-9-15(25(17)10-11)18(26)24-3-5-27-6-4-24/h1-2,7-10H,3-6H2,(H2,21,23).
What are the key properties of [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 381.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70798725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).