3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine

C15H23BrN2OS — CID 141063420

IUPAC3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(C)CCCC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2OS/c1-10(2)5-4-6-11(3)18-12(9-15(17)19-18)13-7-8-14(16)20-13/h7-12H,4-6,17H2,1-3H3
InChIKeyOEIWYIPRSOBGBC-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.81
Rot. Bonds6

About 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063420) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063420
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(C)CCCC(C)N1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2OS/c1-10(2)5-4-6-11(3)18-12(9-15(17)19-18)13-7-8-14(16)20-13/h7-12H,4-6,17H2,1-3H3
InChIKeyOEIWYIPRSOBGBC-UHFFFAOYSA-N
XLogP4.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.81
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-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063420) is 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine is CC(C)CCCC(C)N1OC(N)=CC1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is OEIWYIPRSOBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-10(2)5-4-6-11(3)18-12(9-15(17)19-18)13-7-8-14(16)20-13/h7-12H,4-6,17H2,1-3H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 359.33 g/mol, XLogP of 4.81, 6 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-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).