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

C22H19N9O3 — CID 59394662

IUPACN-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCC1(c2cc(NC(=O)n3ccc4cc(Oc5cc(Cn6cnnn6)ncn5)ccc43)no2)CC1
InChIInChI=1S/C22H19N9O3/c1-22(5-6-22)18-10-19(27-34-18)26-21(32)31-7-4-14-8-16(2-3-17(14)31)33-20-9-15(23-12-24-20)11-30-13-25-28-29-30/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,26,27,32)
InChIKeyPAHUMQMMYSNHHF-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.38
Rot. Bonds6

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

N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394662) has the molecular formula C22H19N9O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394662
Molecular FormulaC22H19N9O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC NameN-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCC1(c2cc(NC(=O)n3ccc4cc(Oc5cc(Cn6cnnn6)ncn5)ccc43)no2)CC1
InChIInChI=1S/C22H19N9O3/c1-22(5-6-22)18-10-19(27-34-18)26-21(32)31-7-4-14-8-16(2-3-17(14)31)33-20-9-15(23-12-24-20)11-30-13-25-28-29-30/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,26,27,32)
InChIKeyPAHUMQMMYSNHHF-UHFFFAOYSA-N
XLogP3.38
TPSA138.67 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
CID 129018251
N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394558
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
CID 129018224
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
CID 59394126
5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394725
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335
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
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305
4-methyl-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 129045494

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394662) is N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is CC1(c2cc(NC(=O)n3ccc4cc(Oc5cc(Cn6cnnn6)ncn5)ccc43)no2)CC1.
What is the InChIKey of N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is PAHUMQMMYSNHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9O3/c1-22(5-6-22)18-10-19(27-34-18)26-21(32)31-7-4-14-8-16(2-3-17(14)31)33-20-9-15(23-12-24-20)11-30-13-25-28-29-30/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,26,27,32).
What are the key properties of N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).