1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine

C13H16N2O2 — CID 115084104

IUPAC1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(Cc2nc(C(C)N)co2)cc1
InChIInChI=1S/C13H16N2O2/c1-9(14)12-8-17-13(15-12)7-10-3-5-11(16-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3
InChIKeyMKDXCIGSCUVKPZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine

1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084104) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
PubChem CID115084104
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(Cc2nc(C(C)N)co2)cc1
InChIInChI=1S/C13H16N2O2/c1-9(14)12-8-17-13(15-12)7-10-3-5-11(16-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3
InChIKeyMKDXCIGSCUVKPZ-UHFFFAOYSA-N
XLogP2.29
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084208
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115083702
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115084076
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115084078
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine
CID 96599635
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine (CID 115084104) is 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine is COc1ccc(Cc2nc(C(C)N)co2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The InChIKey is MKDXCIGSCUVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(14)12-8-17-13(15-12)7-10-3-5-11(16-2)6-4-10/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).