3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine

C19H22N4O2 — CID 133317461

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-12-11-21-18-17(5-4-10-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeyYLFHWXTXESOXTO-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.05
Rot. Bonds7

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine (PubChem CID 133317461) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
PubChem CID133317461
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-12-11-21-18-17(5-4-10-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeyYLFHWXTXESOXTO-UHFFFAOYSA-N
XLogP4.05
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine
CID 133319552
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119011
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 86802821
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140
1-N-benzyl-1-N-methyl-2-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]propane-1,2-diamine
CID 133435816
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 133317350
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
CID 133322060
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine (CID 133317461) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine is Cc1noc(-c2cccnc2NCCOc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine?
The InChIKey is YLFHWXTXESOXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-12-11-21-18-17(5-4-10-20-18)19-22-14(3)23-25-19/h4-10,13H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine has a molecular weight of 338.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 133317461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).