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

C18H19N3O2 — CID 110881468

IUPAC2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
SMILESCc1ccc(-c2noc(CN(CCO)c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-14-7-9-15(10-8-14)18-19-17(23-20-18)13-21(11-12-22)16-5-3-2-4-6-16/h2-10,22H,11-13H2,1H3
InChIKeySVFZGTVJLSPOID-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.04
Rot. Bonds6

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

2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol (PubChem CID 110881468) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
PubChem CID110881468
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol
SMILESCc1ccc(-c2noc(CN(CCO)c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-14-7-9-15(10-8-14)18-19-17(23-20-18)13-21(11-12-22)16-5-3-2-4-6-16/h2-10,22H,11-13H2,1H3
InChIKeySVFZGTVJLSPOID-UHFFFAOYSA-N
XLogP3.04
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
CID 111860036
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 132668373
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 1259410
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866

Frequently Asked Questions

What is the IUPAC name of 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol?
The IUPAC name of 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol (CID 110881468) is 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol?
The canonical SMILES for 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol is Cc1ccc(-c2noc(CN(CCO)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol?
The InChIKey is SVFZGTVJLSPOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-7-9-15(10-8-14)18-19-17(23-20-18)13-21(11-12-22)16-5-3-2-4-6-16/h2-10,22H,11-13H2,1H3.
What are the key properties of 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol?
2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol has a molecular weight of 309.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]ethanol is sourced from PubChem (CID 110881468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).