1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine

C15H20N2O2 — CID 115083827

IUPAC1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C15H20N2O2/c1-11(16-2)7-13-10-19-15(17-13)9-12-5-4-6-14(8-12)18-3/h4-6,8,10-11,16H,7,9H2,1-3H3
InChIKeyQLKFQYLGIMSAKQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine (PubChem CID 115083827) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
PubChem CID115083827
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C15H20N2O2/c1-11(16-2)7-13-10-19-15(17-13)9-12-5-4-6-14(8-12)18-3/h4-6,8,10-11,16H,7,9H2,1-3H3
InChIKeyQLKFQYLGIMSAKQ-UHFFFAOYSA-N
XLogP2.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115083796
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115083702
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083806
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63350290
N-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine (CID 115083827) is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine is CNC(C)Cc1coc(Cc2cccc(OC)c2)n1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is QLKFQYLGIMSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(16-2)7-13-10-19-15(17-13)9-12-5-4-6-14(8-12)18-3/h4-6,8,10-11,16H,7,9H2,1-3H3.
What are the key properties of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine?
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115083827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).