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

C16H22N2O3 — CID 79147753

IUPACN-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ocnc2CNCC(C)C)c(OC)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)8-17-9-14-16(21-10-18-14)13-6-5-12(19-3)7-15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyDOZJZNDXTDQBBE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds7

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

N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79147753) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79147753
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ocnc2CNCC(C)C)c(OC)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)8-17-9-14-16(21-10-18-14)13-6-5-12(19-3)7-15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyDOZJZNDXTDQBBE-UHFFFAOYSA-N
XLogP3.10
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79144744
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
CID 79146052
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145454
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144718
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
[4-(2,4-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82129188
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106793139
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058853

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79147753) is N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccc(-c2ocnc2CNCC(C)C)c(OC)c1.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DOZJZNDXTDQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)8-17-9-14-16(21-10-18-14)13-6-5-12(19-3)7-15(13)20-4/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79147753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).