2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol

C22H28N4O2 — CID 135979555

IUPAC2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol
SMILESCCc1cc(-c2nc(-c3cc(C)c(O)c(CC)c3)no2)cnc1N(C)C(C)C
InChIInChI=1S/C22H28N4O2/c1-7-15-10-17(9-14(5)19(15)27)20-24-22(28-25-20)18-11-16(8-2)21(23-12-18)26(6)13(3)4/h9-13,27H,7-8H2,1-6H3
InChIKeyKTLAZQUKUSBKNJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.78
Rot. Bonds6

About 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol

2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol (PubChem CID 135979555) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol.

Molecular Properties

Compound Name2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol
PubChem CID135979555
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol
SMILESCCc1cc(-c2nc(-c3cc(C)c(O)c(CC)c3)no2)cnc1N(C)C(C)C
InChIInChI=1S/C22H28N4O2/c1-7-15-10-17(9-14(5)19(15)27)20-24-22(28-25-20)18-11-16(8-2)21(23-12-18)26(6)13(3)4/h9-13,27H,7-8H2,1-6H3
InChIKeyKTLAZQUKUSBKNJ-UHFFFAOYSA-N
XLogP4.78
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol with MolForge

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Related Compounds

3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
CID 66935624
2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 59392484
(2S)-3-[2-ethyl-6-methyl-4-[5-[6-methyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 68763893
3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68762745
(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 68766061
(2S)-1-amino-3-[2-ethyl-4-[5-[6-ethyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propan-2-ol
CID 68765562
3-[4-[5-[5-iodo-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid
CID 69068230
5-(5,6-diethyl-3-pyridinyl)-3-(3-ethyl-5-methylphenyl)-1,2,4-oxadiazole
CID 141200321
3-[4-[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 59272939
3-[4-[5-[2-(dimethylamino)-6-ethyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 69043460
(2S)-1-amino-3-[2-ethyl-4-[5-(5-ethyl-6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propan-2-ol
CID 58124781
2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 68578477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol?
The IUPAC name of 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol (CID 135979555) is 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol.
What is the SMILES notation for 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol?
The canonical SMILES for 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol is CCc1cc(-c2nc(-c3cc(C)c(O)c(CC)c3)no2)cnc1N(C)C(C)C.
What is the InChIKey of 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol?
The InChIKey is KTLAZQUKUSBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-7-15-10-17(9-14(5)19(15)27)20-24-22(28-25-20)18-11-16(8-2)21(23-12-18)26(6)13(3)4/h9-13,27H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol?
2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol has a molecular weight of 380.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenol is sourced from PubChem (CID 135979555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).