[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine

C14H18N2O3 — CID 65179555

IUPAC[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCOc1ccc(-c2cnc(CN)o2)cc1OCC
InChIInChI=1S/C14H18N2O3/c1-3-17-11-6-5-10(7-12(11)18-4-2)13-9-16-14(8-15)19-13/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeyIVLDWYUPYVXKNH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.60
Rot. Bonds6

About [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine

[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179555) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179555
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCOc1ccc(-c2cnc(CN)o2)cc1OCC
InChIInChI=1S/C14H18N2O3/c1-3-17-11-6-5-10(7-12(11)18-4-2)13-9-16-14(8-15)19-13/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeyIVLDWYUPYVXKNH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 95471843
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine (CID 65179555) is [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine is CCOc1ccc(-c2cnc(CN)o2)cc1OCC.
What is the InChIKey of [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is IVLDWYUPYVXKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-17-11-6-5-10(7-12(11)18-4-2)13-9-16-14(8-15)19-13/h5-7,9H,3-4,8,15H2,1-2H3.
What are the key properties of [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).