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

C13H18N2O2 — CID 115060988

IUPAC3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESCOc1cccc(C2=NC(CCCN)CO2)c1
InChIInChI=1S/C13H18N2O2/c1-16-12-6-2-4-10(8-12)13-15-11(9-17-13)5-3-7-14/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyPTSCKKXTUMLMCV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.58
Rot. Bonds5

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

3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115060988) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115060988
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESCOc1cccc(C2=NC(CCCN)CO2)c1
InChIInChI=1S/C13H18N2O2/c1-16-12-6-2-4-10(8-12)13-15-11(9-17-13)5-3-7-14/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyPTSCKKXTUMLMCV-UHFFFAOYSA-N
XLogP1.58
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
CID 170878912
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
CID 18971687

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115060988) is 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is COc1cccc(C2=NC(CCCN)CO2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is PTSCKKXTUMLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-12-6-2-4-10(8-12)13-15-11(9-17-13)5-3-7-14/h2,4,6,8,11H,3,5,7,9,14H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115060988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).