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

C21H19FN2O3 — CID 122186363

IUPAC(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3/c1-14-20-18(23-19(27-20)13-26-17-5-3-2-4-6-17)11-12-24(14)21(25)15-7-9-16(22)10-8-15/h2-10,14H,11-13H2,1H3
InChIKeyXBSIOFDNNTWSKV-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.15
Rot. Bonds4

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

(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 122186363) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID122186363
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESCC1c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3/c1-14-20-18(23-19(27-20)13-26-17-5-3-2-4-6-17)11-12-24(14)21(25)15-7-9-16(22)10-8-15/h2-10,14H,11-13H2,1H3
InChIKeyXBSIOFDNNTWSKV-UHFFFAOYSA-N
XLogP4.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 122186363) is (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is CC1c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is XBSIOFDNNTWSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-14-20-18(23-19(27-20)13-26-17-5-3-2-4-6-17)11-12-24(14)21(25)15-7-9-16(22)10-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 366.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 122186363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).