5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C14H18N2O3 — CID 5252418

IUPAC5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC=CCc1ccc(OCC2CN=C(N)O2)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-16-14(15)19-11/h3,5-7,11H,1,4,8-9H2,2H3,(H2,15,16)
InChIKeyWWDCAQNFJNJFKF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds6

About 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 5252418) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID5252418
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC=CCc1ccc(OCC2CN=C(N)O2)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-16-14(15)19-11/h3,5-7,11H,1,4,8-9H2,2H3,(H2,15,16)
InChIKeyWWDCAQNFJNJFKF-UHFFFAOYSA-N
XLogP1.52
TPSA66.07 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 15337813
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,3-dioxolan-2-yl]methylsulfanyl]acetic acid
CID 67912851
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 5252418) is 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is C=CCc1ccc(OCC2CN=C(N)O2)c(OC)c1.
What is the InChIKey of 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WWDCAQNFJNJFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-16-14(15)19-11/h3,5-7,11H,1,4,8-9H2,2H3,(H2,15,16).
What are the key properties of 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 5252418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).