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

C11H14N2O2 — CID 115061541

IUPAC[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCOc1cccc(C2CN=C(CN)O2)c1
InChIInChI=1S/C11H14N2O2/c1-14-9-4-2-3-8(5-9)10-7-13-11(6-12)15-10/h2-5,10H,6-7,12H2,1H3
InChIKeyOTPQKCRCWUANKW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.12
Rot. Bonds3

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

[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115061541) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115061541
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESCOc1cccc(C2CN=C(CN)O2)c1
InChIInChI=1S/C11H14N2O2/c1-14-9-4-2-3-8(5-9)10-7-13-11(6-12)15-10/h2-5,10H,6-7,12H2,1H3
InChIKeyOTPQKCRCWUANKW-UHFFFAOYSA-N
XLogP1.12
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458828
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
5-(3-methoxyphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061350
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194142
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
1-butan-2-yl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514440
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
3-(3-methoxyphenyl)oxetane
CID 130113867
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115061541) is [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine is COc1cccc(C2CN=C(CN)O2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is OTPQKCRCWUANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-9-4-2-3-8(5-9)10-7-13-11(6-12)15-10/h2-5,10H,6-7,12H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 206.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115061541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).