1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea

C24H24FN5O3 — CID 24811146

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c2)cc2cnccc21
InChIInChI=1S/C24H24FN5O3/c1-5-30-19-8-9-26-13-15(19)10-16(22(30)31)14-6-7-17(25)18(11-14)27-23(32)28-21-12-20(29-33-21)24(2,3)4/h6-13H,5H2,1-4H3,(H2,27,28,32)
InChIKeyADKGNIUREJAARH-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.15
Rot. Bonds4

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea (PubChem CID 24811146) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea
PubChem CID24811146
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c2)cc2cnccc21
InChIInChI=1S/C24H24FN5O3/c1-5-30-19-8-9-26-13-15(19)10-16(22(30)31)14-6-7-17(25)18(11-14)27-23(32)28-21-12-20(29-33-21)24(2,3)4/h6-13H,5H2,1-4H3,(H2,27,28,32)
InChIKeyADKGNIUREJAARH-UHFFFAOYSA-N
XLogP5.15
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea (CID 24811146) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea is CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c2)cc2cnccc21.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea?
The InChIKey is ADKGNIUREJAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-5-30-19-8-9-26-13-15(19)10-16(22(30)31)14-6-7-17(25)18(11-14)27-23(32)28-21-12-20(29-33-21)24(2,3)4/h6-13H,5H2,1-4H3,(H2,27,28,32).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea has a molecular weight of 449.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[5-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl]urea is sourced from PubChem (CID 24811146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).