3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine

C14H18N2O3 — CID 65178926

IUPAC3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1cc(OC)cc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C14H18N2O3/c1-17-11-6-10(7-12(8-11)18-2)13-9-16-14(19-13)4-3-5-15/h6-9H,3-5,15H2,1-2H3
InChIKeyVWRPQKGIEDQAII-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.25
Rot. Bonds6

About 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178926) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178926
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1cc(OC)cc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C14H18N2O3/c1-17-11-6-10(7-12(8-11)18-2)13-9-16-14(19-13)4-3-5-15/h6-9H,3-5,15H2,1-2H3
InChIKeyVWRPQKGIEDQAII-UHFFFAOYSA-N
XLogP2.25
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179211
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82358645
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178542
3-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178544

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178926) is 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is COc1cc(OC)cc(-c2cnc(CCCN)o2)c1.
What is the InChIKey of 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is VWRPQKGIEDQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-11-6-10(7-12(8-11)18-2)13-9-16-14(19-13)4-3-5-15/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 262.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).