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

C19H16F2N2O4 — CID 42364581

IUPAC[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1
InChIInChI=1S/C19H16F2N2O4/c1-25-10-12-3-5-17(26-12)19(24)23-7-6-16-13(9-23)18(22-27-16)11-2-4-14(20)15(21)8-11/h2-5,8H,6-7,9-10H2,1H3
InChIKeyYJIBIENPASCFBK-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.56
Rot. Bonds4

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

[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 42364581) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID42364581
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1
InChIInChI=1S/C19H16F2N2O4/c1-25-10-12-3-5-17(26-12)19(24)23-7-6-16-13(9-23)18(22-27-16)11-2-4-14(20)15(21)8-11/h2-5,8H,6-7,9-10H2,1H3
InChIKeyYJIBIENPASCFBK-UHFFFAOYSA-N
XLogP3.56
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 56750334
[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785
(2S)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
CID 95217799
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
CID 56752367
1-[3-fluoro-4-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 86912160
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 46970594
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 42364581) is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1.
What is the InChIKey of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is YJIBIENPASCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-25-10-12-3-5-17(26-12)19(24)23-7-6-16-13(9-23)18(22-27-16)11-2-4-14(20)15(21)8-11/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 374.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 42364581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).