2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C12H18N2O2S — CID 141063207

IUPAC2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCCCN1OC(N)=CC1c1ccc(C)s1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-11(17-9)10-8-12(13)16-14(10)6-3-7-15-2/h4-5,8,10H,3,6-7,13H2,1-2H3
InChIKeyOBLZABKJDWHHOA-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063207) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063207
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCCCN1OC(N)=CC1c1ccc(C)s1
InChIInChI=1S/C12H18N2O2S/c1-9-4-5-11(17-9)10-8-12(13)16-14(10)6-3-7-15-2/h4-5,8,10H,3,6-7,13H2,1-2H3
InChIKeyOBLZABKJDWHHOA-UHFFFAOYSA-N
XLogP2.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
2-tert-butyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90735249
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90930757
2-cycloheptyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90956020
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063236
2-(1-methoxypropan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063252
2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063274

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063207) is 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is COCCCN1OC(N)=CC1c1ccc(C)s1.
What is the InChIKey of 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is OBLZABKJDWHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-4-5-11(17-9)10-8-12(13)16-14(10)6-3-7-15-2/h4-5,8,10H,3,6-7,13H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 254.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).