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

C20H19FN4O2 — CID 56756231

IUPAC[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C20H19FN4O2/c1-2-5-17-14(10-22-12-23-17)20(26)25-9-8-18-15(11-25)19(24-27-18)13-6-3-4-7-16(13)21/h3-4,6-7,10,12H,2,5,8-9,11H2,1H3
InChIKeySTQQVOBEGGBMIN-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.42
Rot. Bonds4

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

[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 56756231) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID56756231
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C20H19FN4O2/c1-2-5-17-14(10-22-12-23-17)20(26)25-9-8-18-15(11-25)19(24-27-18)13-6-3-4-7-16(13)21/h3-4,6-7,10,12H,2,5,8-9,11H2,1H3
InChIKeySTQQVOBEGGBMIN-UHFFFAOYSA-N
XLogP3.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone (CID 56756231) is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is STQQVOBEGGBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-5-17-14(10-22-12-23-17)20(26)25-9-8-18-15(11-25)19(24-27-18)13-6-3-4-7-16(13)21/h3-4,6-7,10,12H,2,5,8-9,11H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone?
[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56756231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).