N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

C15H20N2O2 — CID 79144744

IUPACN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1-c1ocnc1CNCC(C)C
InChIInChI=1S/C15H20N2O2/c1-11(2)8-16-9-13-15(19-10-17-13)12-6-4-5-7-14(12)18-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyQTRUUXMDOHABEX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.10
Rot. Bonds6

About N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79144744) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79144744
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1-c1ocnc1CNCC(C)C
InChIInChI=1S/C15H20N2O2/c1-11(2)8-16-9-13-15(19-10-17-13)12-6-4-5-7-14(12)18-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyQTRUUXMDOHABEX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79147753
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406
N-[[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79148260
N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79020183
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
CID 79146052
2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 103123663
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146136
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831
2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79212909

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79144744) is N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccccc1-c1ocnc1CNCC(C)C.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QTRUUXMDOHABEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)8-16-9-13-15(19-10-17-13)12-6-4-5-7-14(12)18-3/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79144744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).