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

C21H17N9O3 — CID 59394672

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3cc(Cn4ncnn4)ncn3)ccc21
InChIInChI=1S/C21H17N9O3/c31-21(26-19-9-18(33-27-19)13-1-2-13)29-6-5-14-7-16(3-4-17(14)29)32-20-8-15(22-11-23-20)10-30-25-12-24-28-30/h3-9,11-13H,1-2,10H2,(H,26,27,31)
InChIKeySOUHYNYJXMGGNP-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.20
Rot. Bonds6

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

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394672) has the molecular formula C21H17N9O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394672
Molecular FormulaC21H17N9O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3cc(Cn4ncnn4)ncn3)ccc21
InChIInChI=1S/C21H17N9O3/c31-21(26-19-9-18(33-27-19)13-1-2-13)29-6-5-14-7-16(3-4-17(14)29)32-20-8-15(22-11-23-20)10-30-25-12-24-28-30/h3-9,11-13H,1-2,10H2,(H,26,27,31)
InChIKeySOUHYNYJXMGGNP-UHFFFAOYSA-N
XLogP3.20
TPSA138.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394672) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is O=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3cc(Cn4ncnn4)ncn3)ccc21.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is SOUHYNYJXMGGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O3/c31-21(26-19-9-18(33-27-19)13-1-2-13)29-6-5-14-7-16(3-4-17(14)29)32-20-8-15(22-11-23-20)10-30-25-12-24-28-30/h3-9,11-13H,1-2,10H2,(H,26,27,31).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).