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

C19H18F2N4O2 — CID 56754459

IUPAC1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H18F2N4O2/c1-12(10-25-7-2-6-22-25)19(26)24-8-5-17-14(11-24)18(23-27-17)13-3-4-15(20)16(21)9-13/h2-4,6-7,9,12H,5,8,10-11H2,1H3
InChIKeyQLBVPUJNZOKCMC-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.04
Rot. Bonds4

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

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 56754459) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 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-methyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
PubChem CID56754459
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H18F2N4O2/c1-12(10-25-7-2-6-22-25)19(26)24-8-5-17-14(11-24)18(23-27-17)13-3-4-15(20)16(21)9-13/h2-4,6-7,9,12H,5,8,10-11H2,1H3
InChIKeyQLBVPUJNZOKCMC-UHFFFAOYSA-N
XLogP3.04
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (CID 56754459) is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.
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-methyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is CC(Cn1cccn1)C(=O)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-methyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is QLBVPUJNZOKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-12(10-25-7-2-6-22-25)19(26)24-8-5-17-14(11-24)18(23-27-17)13-3-4-15(20)16(21)9-13/h2-4,6-7,9,12H,5,8,10-11H2,1H3.
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-methyl-3-pyrazol-1-ylpropan-1-one?
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 372.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-methyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 56754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).