[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone

C20H19FN4O4 — CID 42630290

IUPAC[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C20H19FN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3
InChIKeyNOHQUOGZZBIOMG-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.63
Rot. Bonds5

About [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 42630290) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID42630290
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C20H19FN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3
InChIKeyNOHQUOGZZBIOMG-UHFFFAOYSA-N
XLogP2.63
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone (CID 42630290) is [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NOHQUOGZZBIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 398.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42630290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).