2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol

C15H20N2O3 — CID 111824414

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN(C)c2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-15(11(2)20-16-10)17(3)9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3
InChIKeyHBZBZCVMBQENBM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.47
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol

2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111824414) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111824414
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN(C)c2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-15(11(2)20-16-10)17(3)9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3
InChIKeyHBZBZCVMBQENBM-UHFFFAOYSA-N
XLogP2.47
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol
CID 111824415
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol (CID 111824414) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN(C)c2c(C)noc2C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is HBZBZCVMBQENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-15(11(2)20-16-10)17(3)9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111824414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).