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

C19H18F2N4O2 — CID 56753692

IUPAC1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1cccn1
InChIInChI=1S/C19H18F2N4O2/c1-2-16(25-8-3-7-22-25)19(26)24-9-6-17-13(11-24)18(23-27-17)12-4-5-14(20)15(21)10-12/h3-5,7-8,10,16H,2,6,9,11H2,1H3
InChIKeyMNFCAUXSNSHQJK-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.35
Rot. Bonds4

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

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 56753692) 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-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID56753692
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-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1cccn1
InChIInChI=1S/C19H18F2N4O2/c1-2-16(25-8-3-7-22-25)19(26)24-9-6-17-13(11-24)18(23-27-17)12-4-5-14(20)15(21)10-12/h3-5,7-8,10,16H,2,6,9,11H2,1H3
InChIKeyMNFCAUXSNSHQJK-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-pyrazol-1-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindoline-1,3-dione
CID 57422411
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-fluorobenzyl)imidazolidine-2,4-dione
CID 57422443
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
US10889564, Example 49
CID 129104676
US10889564, Example 14
CID 129104702
US10889564, Example 8
CID 129104745
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761

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-pyrazol-1-ylbutan-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-pyrazol-1-ylbutan-1-one (CID 56753692) is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-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-pyrazol-1-ylbutan-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-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1cccn1.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is MNFCAUXSNSHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-2-16(25-8-3-7-22-25)19(26)24-9-6-17-13(11-24)18(23-27-17)12-4-5-14(20)15(21)10-12/h3-5,7-8,10,16H,2,6,9,11H2,1H3.
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-pyrazol-1-ylbutan-1-one?
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 372.38 g/mol, XLogP of 3.35, 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-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 56753692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).