3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine

C10H10Br2N2OS — CID 80538064

IUPAC3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C10H10Br2N2OS/c11-6-4-8(16-10(6)12)7-5-14-9(15-7)2-1-3-13/h4-5H,1-3,13H2
InChIKeyKTNLSPRUQWPFFW-UHFFFAOYSA-N
MW366.08 g/mol
LogP3.82
Rot. Bonds4

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

3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 80538064) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID80538064
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC Name3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C10H10Br2N2OS/c11-6-4-8(16-10(6)12)7-5-14-9(15-7)2-1-3-13/h4-5H,1-3,13H2
InChIKeyKTNLSPRUQWPFFW-UHFFFAOYSA-N
XLogP3.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 80538321
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 80538087
[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 79997465
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 107994673
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80538161
N-[3-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 79996430
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 79997125
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 80538064) is 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(-c2cc(Br)c(Br)s2)o1.
What is the InChIKey of 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is KTNLSPRUQWPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c11-6-4-8(16-10(6)12)7-5-14-9(15-7)2-1-3-13/h4-5H,1-3,13H2.
What are the key properties of 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 366.08 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 80538064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).