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

C21H17N9O4 — CID 129018251

IUPAC[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
SMILESO=C(Nc1cc(C2CC2)on1)On1ccc2cc(Oc3cc(Cn4cnnn4)ncn3)ccc21
InChIInChI=1S/C21H17N9O4/c31-21(25-19-9-18(33-26-19)13-1-2-13)34-30-6-5-14-7-16(3-4-17(14)30)32-20-8-15(22-11-23-20)10-29-12-24-27-28-29/h3-9,11-13H,1-2,10H2,(H,25,26,31)
InChIKeyRFNWFBOPHUAYBU-UHFFFAOYSA-N
MW459.43 g/mol
LogP2.78
Rot. Bonds7

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

[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate (PubChem CID 129018251) has the molecular formula C21H17N9O4 and a molecular weight of 459.43 g/mol. Its IUPAC name is [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Name[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
PubChem CID129018251
Molecular FormulaC21H17N9O4
Molecular Weight459.43 g/mol
Exact Mass459.14
IUPAC Name[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
SMILESO=C(Nc1cc(C2CC2)on1)On1ccc2cc(Oc3cc(Cn4cnnn4)ncn3)ccc21
InChIInChI=1S/C21H17N9O4/c31-21(25-19-9-18(33-26-19)13-1-2-13)34-30-6-5-14-7-16(3-4-17(14)30)32-20-8-15(22-11-23-20)10-29-12-24-27-28-29/h3-9,11-13H,1-2,10H2,(H,25,26,31)
InChIKeyRFNWFBOPHUAYBU-UHFFFAOYSA-N
XLogP2.78
TPSA147.90 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
CID 129018205
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 129018219
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
CID 129018180
N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394558
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394616
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228
5-[(6-acetyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394015
4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 129045028
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
CID 129045019
N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394511
5-[6-[(5-aminotetrazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394066

Frequently Asked Questions

What is the IUPAC name of [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate (CID 129018251) is [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate is O=C(Nc1cc(C2CC2)on1)On1ccc2cc(Oc3cc(Cn4cnnn4)ncn3)ccc21.
What is the InChIKey of [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is RFNWFBOPHUAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O4/c31-21(25-19-9-18(33-26-19)13-1-2-13)34-30-6-5-14-7-16(3-4-17(14)30)32-20-8-15(22-11-23-20)10-29-12-24-27-28-29/h3-9,11-13H,1-2,10H2,(H,25,26,31).
What are the key properties of [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 459.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 129018251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).