[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone

C20H16F2N2O3 — CID 66609011

IUPAC[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H16F2N2O3/c21-14-4-1-3-13(9-14)20(25)24-8-7-17-18(11-24)27-19(23-17)12-26-16-6-2-5-15(22)10-16/h1-6,9-10H,7-8,11-12H2
InChIKeyBODXKWPKEKMDKV-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.73
Rot. Bonds4

About [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone

[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone (PubChem CID 66609011) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone
PubChem CID66609011
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H16F2N2O3/c21-14-4-1-3-13(9-14)20(25)24-8-7-17-18(11-24)27-19(23-17)12-26-16-6-2-5-15(22)10-16/h1-6,9-10H,7-8,11-12H2
InChIKeyBODXKWPKEKMDKV-UHFFFAOYSA-N
XLogP3.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone (CID 66609011) is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is BODXKWPKEKMDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-14-4-1-3-13(9-14)20(25)24-8-7-17-18(11-24)27-19(23-17)12-26-16-6-2-5-15(22)10-16/h1-6,9-10H,7-8,11-12H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone?
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 370.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 66609011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).