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

C14H18N2O3 — CID 81135106

IUPAC1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2cc(C)no2)c1
InChIInChI=1S/C14H18N2O3/c1-10-6-13(19-16-10)8-15-9-14(17)11-4-3-5-12(7-11)18-2/h3-7,14-15,17H,8-9H2,1-2H3
InChIKeyNCPCGMLHDZMWIZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.81
Rot. Bonds6

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

1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol (PubChem CID 81135106) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
PubChem CID81135106
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2cc(C)no2)c1
InChIInChI=1S/C14H18N2O3/c1-10-6-13(19-16-10)8-15-9-14(17)11-4-3-5-12(7-11)18-2/h3-7,14-15,17H,8-9H2,1-2H3
InChIKeyNCPCGMLHDZMWIZ-UHFFFAOYSA-N
XLogP1.81
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
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2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
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2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114822
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol (CID 81135106) is 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol is COc1cccc(C(O)CNCc2cc(C)no2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol?
The InChIKey is NCPCGMLHDZMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-6-13(19-16-10)8-15-9-14(17)11-4-3-5-12(7-11)18-2/h3-7,14-15,17H,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 81135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).