2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol

C17H18N4O2 — CID 133342901

IUPAC2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
SMILESCc1noc(-c2cccnc2NCC(O)c2ccccc2C)n1
InChIInChI=1S/C17H18N4O2/c1-11-6-3-4-7-13(11)15(22)10-19-16-14(8-5-9-18-16)17-20-12(2)21-23-17/h3-9,15,22H,10H2,1-2H3,(H,18,19)
InChIKeyDMAQHUFLOXPQJK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol

2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol (PubChem CID 133342901) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
PubChem CID133342901
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
SMILESCc1noc(-c2cccnc2NCC(O)c2ccccc2C)n1
InChIInChI=1S/C17H18N4O2/c1-11-6-3-4-7-13(11)15(22)10-19-16-14(8-5-9-18-16)17-20-12(2)21-23-17/h3-9,15,22H,10H2,1-2H3,(H,18,19)
InChIKeyDMAQHUFLOXPQJK-UHFFFAOYSA-N
XLogP2.89
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
CID 44218906
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
((2S)-1-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-pyrrolidinyl)methanol
CID 25455986
(1-{5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol
CID 45183809
5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-[2-(methoxymethyl)-1-piperidinyl]pyridine
CID 45186809
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
5-[6-(Ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 72712258
3-[[3-[2-(4-Chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 127034207
5-[3-[3-(1,3-Dihydroxypropan-2-yl)-6-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 49841138

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol (CID 133342901) is 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol is Cc1noc(-c2cccnc2NCC(O)c2ccccc2C)n1.
What is the InChIKey of 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol?
The InChIKey is DMAQHUFLOXPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-6-3-4-7-13(11)15(22)10-19-16-14(8-5-9-18-16)17-20-12(2)21-23-17/h3-9,15,22H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol?
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 133342901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).