[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

C24H24FN3O3 — CID 43049730

IUPAC[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CN(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc2O1)N1CCCCC1
InChIInChI=1S/C24H24FN3O3/c25-18-10-8-17(9-11-18)23-26-19(16-30-23)14-28-15-22(24(29)27-12-4-1-5-13-27)31-21-7-3-2-6-20(21)28/h2-3,6-11,16,22H,1,4-5,12-15H2
InChIKeyBZWKQZIJTNPRJA-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.26
Rot. Bonds4

About [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 43049730) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
PubChem CID43049730
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CN(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc2O1)N1CCCCC1
InChIInChI=1S/C24H24FN3O3/c25-18-10-8-17(9-11-18)23-26-19(16-30-23)14-28-15-22(24(29)27-12-4-1-5-13-27)31-21-7-3-2-6-20(21)28/h2-3,6-11,16,22H,1,4-5,12-15H2
InChIKeyBZWKQZIJTNPRJA-UHFFFAOYSA-N
XLogP4.26
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone (CID 43049730) is [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is O=C(C1CN(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc2O1)N1CCCCC1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is BZWKQZIJTNPRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-18-10-8-17(9-11-18)23-26-19(16-30-23)14-28-15-22(24(29)27-12-4-1-5-13-27)31-21-7-3-2-6-20(21)28/h2-3,6-11,16,22H,1,4-5,12-15H2.
What are the key properties of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone?
[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 421.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 43049730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).