3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine

C13H19BrN2OS — CID 141063319

IUPAC3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(C)CC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2OS/c1-8(2)6-9(3)16-10(7-13(15)17-16)11-4-5-12(14)18-11/h4-5,7-10H,6,15H2,1-3H3
InChIKeyIHFKRYZVDBLYBE-UHFFFAOYSA-N
MW331.28 g/mol
LogP4.03
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063319) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063319
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(C)CC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2OS/c1-8(2)6-9(3)16-10(7-13(15)17-16)11-4-5-12(14)18-11/h4-5,7-10H,6,15H2,1-3H3
InChIKeyIHFKRYZVDBLYBE-UHFFFAOYSA-N
XLogP4.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063319) is 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine is CC(C)CC(C)N1OC(N)=CC1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is IHFKRYZVDBLYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-8(2)6-9(3)16-10(7-13(15)17-16)11-4-5-12(14)18-11/h4-5,7-10H,6,15H2,1-3H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 331.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-(4-methylpentan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).