1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone

C19H15F2N3O2 — CID 25276554

IUPAC1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H15F2N3O2/c20-15-4-3-13(9-16(15)21)19-14-11-24(7-5-17(14)26-23-19)18(25)8-12-2-1-6-22-10-12/h1-4,6,9-10H,5,7-8,11H2
InChIKeyVXUPAKLVSBRAEW-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.14
Rot. Bonds3

About 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 25276554) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID25276554
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H15F2N3O2/c20-15-4-3-13(9-16(15)21)19-14-11-24(7-5-17(14)26-23-19)18(25)8-12-2-1-6-22-10-12/h1-4,6,9-10H,5,7-8,11H2
InChIKeyVXUPAKLVSBRAEW-UHFFFAOYSA-N
XLogP3.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 25276554) is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is VXUPAKLVSBRAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-15-4-3-13(9-16(15)21)19-14-11-24(7-5-17(14)26-23-19)18(25)8-12-2-1-6-22-10-12/h1-4,6,9-10H,5,7-8,11H2.
What are the key properties of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 355.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 25276554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).