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

C12H18N2O2S — CID 141063294

IUPAC2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1sccc1C
InChIInChI=1S/C12H18N2O2S/c1-8-4-5-17-12(8)10-6-11(13)16-14(10)9(2)7-15-3/h4-6,9-10H,7,13H2,1-3H3
InChIKeyXAKIQOCHTONHLR-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.18
Rot. Bonds4

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

2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063294) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063294
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1sccc1C
InChIInChI=1S/C12H18N2O2S/c1-8-4-5-17-12(8)10-6-11(13)16-14(10)9(2)7-15-3/h4-6,9-10H,7,13H2,1-3H3
InChIKeyXAKIQOCHTONHLR-UHFFFAOYSA-N
XLogP2.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063294) is 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is COCC(C)N1OC(N)=CC1c1sccc1C.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is XAKIQOCHTONHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-4-5-17-12(8)10-6-11(13)16-14(10)9(2)7-15-3/h4-6,9-10H,7,13H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 254.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).