N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

C22H23FN6O3 — CID 59394029

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2F)ncn1
InChIInChI=1S/C22H23FN6O3/c1-22(2,3)17-10-18(28-32-17)27-21(30)29-8-7-14-15(29)5-6-16(20(14)23)31-19-9-13(11-24-4)25-12-26-19/h5-10,12,24H,11H2,1-4H3,(H,27,28,30)
InChIKeyRLIJXDGWVJXEDS-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.45
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394029) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394029
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2F)ncn1
InChIInChI=1S/C22H23FN6O3/c1-22(2,3)17-10-18(28-32-17)27-21(30)29-8-7-14-15(29)5-6-16(20(14)23)31-19-9-13(11-24-4)25-12-26-19/h5-10,12,24H,11H2,1-4H3,(H,27,28,30)
InChIKeyRLIJXDGWVJXEDS-UHFFFAOYSA-N
XLogP4.45
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394029) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2F)ncn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is RLIJXDGWVJXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-22(2,3)17-10-18(28-32-17)27-21(30)29-8-7-14-15(29)5-6-16(20(14)23)31-19-9-13(11-24-4)25-12-26-19/h5-10,12,24H,11H2,1-4H3,(H,27,28,30).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).