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

C11H15ClN2O2S — CID 141063562

IUPAC3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-7(6-15-2)14-8(5-11(13)16-14)9-3-4-10(12)17-9/h3-5,7-8H,6,13H2,1-2H3
InChIKeyMKQKKAWFLUJLPA-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.52
Rot. Bonds4

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

3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063562) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063562
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-7(6-15-2)14-8(5-11(13)16-14)9-3-4-10(12)17-9/h3-5,7-8H,6,13H2,1-2H3
InChIKeyMKQKKAWFLUJLPA-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65805391
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845
2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063207
2-(1-methoxypropan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063252
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
CID 141063289
3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063343
3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
CID 141063355

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063562) is 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is COCC(C)N1OC(N)=CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is MKQKKAWFLUJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(6-15-2)14-8(5-11(13)16-14)9-3-4-10(12)17-9/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 274.77 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).