[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine

C21H25N7O2 — CID 90398874

IUPAC[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine
SMILESC=C(c1cc(N2CC(c3nc(C)no3)C2)ncn1)c1cc(OC(C)C)ccc1NN
InChIInChI=1S/C21H25N7O2/c1-12(2)29-16-5-6-18(26-22)17(7-16)13(3)19-8-20(24-11-23-19)28-9-15(10-28)21-25-14(4)27-30-21/h5-8,11-12,15,26H,3,9-10,22H2,1-2,4H3
InChIKeyJURXQASYBPYJLK-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.91
Rot. Bonds7

About [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine

[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine (PubChem CID 90398874) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine.

Molecular Properties

Compound Name[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine
PubChem CID90398874
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine
SMILESC=C(c1cc(N2CC(c3nc(C)no3)C2)ncn1)c1cc(OC(C)C)ccc1NN
InChIInChI=1S/C21H25N7O2/c1-12(2)29-16-5-6-18(26-22)17(7-16)13(3)19-8-20(24-11-23-19)28-9-15(10-28)21-25-14(4)27-30-21/h5-8,11-12,15,26H,3,9-10,22H2,1-2,4H3
InChIKeyJURXQASYBPYJLK-UHFFFAOYSA-N
XLogP2.91
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[1-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine
CID 130414324
2-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 123707719
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 146122533
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90564104
[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine
CID 90400166
6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129474578
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612

Frequently Asked Questions

What is the IUPAC name of [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine?
The IUPAC name of [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine (CID 90398874) is [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine.
What is the SMILES notation for [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine?
The canonical SMILES for [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine is C=C(c1cc(N2CC(c3nc(C)no3)C2)ncn1)c1cc(OC(C)C)ccc1NN.
What is the InChIKey of [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine?
The InChIKey is JURXQASYBPYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-12(2)29-16-5-6-18(26-22)17(7-16)13(3)19-8-20(24-11-23-19)28-9-15(10-28)21-25-14(4)27-30-21/h5-8,11-12,15,26H,3,9-10,22H2,1-2,4H3.
What are the key properties of [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine?
[2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine has a molecular weight of 407.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pyrimidin-4-yl]ethenyl]-4-propan-2-yloxyphenyl]hydrazine is sourced from PubChem (CID 90398874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).