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

C11H15BrN2O2S — CID 141063343

IUPAC3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/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
InChIKeyIZXOCNRSPOCTQH-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.63
Rot. Bonds4

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

3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063343) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063343
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/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
InChIKeyIZXOCNRSPOCTQH-UHFFFAOYSA-N
XLogP2.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-Bromothiophen-2-YL)methyl](2-methoxyethyl)amine
CID 28426403
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984
3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
CID 91381666
3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 91408563
3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
CID 91416802
2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063207
3-(5-bromothiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063239
2-(1-methoxypropan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063252
2-(1-methoxypropan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063294
3-(5-bromothiophen-2-yl)-2-(oxolan-2-ylmethyl)-3H-1,2-oxazol-5-amine
CID 141063312
3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063319
3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063420

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063343) is 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is COCC(C)N1OC(N)=CC1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is IZXOCNRSPOCTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/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-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 319.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).