[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone

C24H24FN3O4 — CID 146469046

IUPAC[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOC1)C2
InChIInChI=1S/C24H24FN3O4/c1-15-20(23(27-32-15)16-2-5-19(25)6-3-16)14-31-22-7-4-17-12-28(10-8-21(17)26-22)24(29)18-9-11-30-13-18/h2-7,18H,8-14H2,1H3
InChIKeyCTWBYWXKUNSXJJ-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.68
Rot. Bonds5

About [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone

[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone (PubChem CID 146469046) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone
PubChem CID146469046
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOC1)C2
InChIInChI=1S/C24H24FN3O4/c1-15-20(23(27-32-15)16-2-5-19(25)6-3-16)14-31-22-7-4-17-12-28(10-8-21(17)26-22)24(29)18-9-11-30-13-18/h2-7,18H,8-14H2,1H3
InChIKeyCTWBYWXKUNSXJJ-UHFFFAOYSA-N
XLogP3.68
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone (CID 146469046) is [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CCOC1)C2.
What is the InChIKey of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone?
The InChIKey is CTWBYWXKUNSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-15-20(23(27-32-15)16-2-5-19(25)6-3-16)14-31-22-7-4-17-12-28(10-8-21(17)26-22)24(29)18-9-11-30-13-18/h2-7,18H,8-14H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone?
[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone has a molecular weight of 437.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 146469046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).