N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C23H23N5O3 — CID 59813417

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4cc(C(C)(C)C)on4)cccc3c2)ncn1
InChIInChI=1S/C23H23N5O3/c1-23(2,3)18-11-20(28-31-18)27-22(29)17-7-5-6-14-10-15(8-9-16(14)17)30-21-12-19(24-4)25-13-26-21/h5-13H,1-4H3,(H,24,25,26)(H,27,28,29)
InChIKeyQGLCLYMTHDZRTC-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.00
Rot. Bonds5

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813417) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID59813417
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4cc(C(C)(C)C)on4)cccc3c2)ncn1
InChIInChI=1S/C23H23N5O3/c1-23(2,3)18-11-20(28-31-18)27-22(29)17-7-5-6-14-10-15(8-9-16(14)17)30-21-12-19(24-4)25-13-26-21/h5-13H,1-4H3,(H,24,25,26)(H,27,28,29)
InChIKeyQGLCLYMTHDZRTC-UHFFFAOYSA-N
XLogP5.00
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 59813417) is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CNc1cc(Oc2ccc3c(C(=O)Nc4cc(C(C)(C)C)on4)cccc3c2)ncn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is QGLCLYMTHDZRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-23(2,3)18-11-20(28-31-18)27-22(29)17-7-5-6-14-10-15(8-9-16(14)17)30-21-12-19(24-4)25-13-26-21/h5-13H,1-4H3,(H,24,25,26)(H,27,28,29).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).