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

C21H20N6O3 — CID 59394177

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ncn1
InChIInChI=1S/C21H20N6O3/c1-22-11-15-9-20(24-12-23-15)29-16-4-5-17-14(8-16)6-7-27(17)21(28)25-19-10-18(30-26-19)13-2-3-13/h4-10,12-13,22H,2-3,11H2,1H3,(H,25,26,28)
InChIKeyYTBCGZKBFNSPHP-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.89
Rot. Bonds6

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

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394177) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394177
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ncn1
InChIInChI=1S/C21H20N6O3/c1-22-11-15-9-20(24-12-23-15)29-16-4-5-17-14(8-16)6-7-27(17)21(28)25-19-10-18(30-26-19)13-2-3-13/h4-10,12-13,22H,2-3,11H2,1H3,(H,25,26,28)
InChIKeyYTBCGZKBFNSPHP-UHFFFAOYSA-N
XLogP3.89
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394177) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)on3)c2)ncn1.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is YTBCGZKBFNSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-22-11-15-9-20(24-12-23-15)29-16-4-5-17-14(8-16)6-7-27(17)21(28)25-19-10-18(30-26-19)13-2-3-13/h4-10,12-13,22H,2-3,11H2,1H3,(H,25,26,28).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).