N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

C13H16Br2N2OS — CID 80538321

IUPACN-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C13H16Br2N2OS/c1-13(2,3)17-5-4-11-16-7-9(18-11)10-6-8(14)12(15)19-10/h6-7,17H,4-5H2,1-3H3
InChIKeyRKOWXCLPKRKSAW-UHFFFAOYSA-N
MW408.16 g/mol
LogP4.86
Rot. Bonds4

About N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 80538321) has the molecular formula C13H16Br2N2OS and a molecular weight of 408.16 g/mol. Its IUPAC name is N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID80538321
Molecular FormulaC13H16Br2N2OS
Molecular Weight408.16 g/mol
Exact Mass405.94
IUPAC NameN-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C13H16Br2N2OS/c1-13(2,3)17-5-4-11-16-7-9(18-11)10-6-8(14)12(15)19-10/h6-7,17H,4-5H2,1-3H3
InChIKeyRKOWXCLPKRKSAW-UHFFFAOYSA-N
XLogP4.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 80538321) is N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1ncc(-c2cc(Br)c(Br)s2)o1.
What is the InChIKey of N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is RKOWXCLPKRKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2OS/c1-13(2,3)17-5-4-11-16-7-9(18-11)10-6-8(14)12(15)19-10/h6-7,17H,4-5H2,1-3H3.
What are the key properties of N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 408.16 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80538321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).