1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

C13H16N2O3 — CID 65179211

IUPAC1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C13H16N2O3/c1-14-8-13-15-7-12(18-13)9-4-10(16-2)6-11(5-9)17-3/h4-7,14H,8H2,1-3H3
InChIKeyQSRPQQOZXATMDL-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.08
Rot. Bonds5

About 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 65179211) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID65179211
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C13H16N2O3/c1-14-8-13-15-7-12(18-13)9-4-10(16-2)6-11(5-9)17-3/h4-7,14H,8H2,1-3H3
InChIKeyQSRPQQOZXATMDL-UHFFFAOYSA-N
XLogP2.08
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 115354582
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179268
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 65179211) is 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2cc(OC)cc(OC)c2)o1.
What is the InChIKey of 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is QSRPQQOZXATMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-8-13-15-7-12(18-13)9-4-10(16-2)6-11(5-9)17-3/h4-7,14H,8H2,1-3H3.
What are the key properties of 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 248.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65179211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).