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

C10H10Br2N2OS — CID 107967239

IUPAC5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2N2OS/c1-4(2)7-8(15-14-10(7)13)5-3-6(11)16-9(5)12/h3-4H,1-2H3,(H2,13,14)
InChIKeyCDRUOUKDGPXIOP-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.63
Rot. Bonds2

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

5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 107967239) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
PubChem CID107967239
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC Name5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2N2OS/c1-4(2)7-8(15-14-10(7)13)5-3-6(11)16-9(5)12/h3-4H,1-2H3,(H2,13,14)
InChIKeyCDRUOUKDGPXIOP-UHFFFAOYSA-N
XLogP4.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine (CID 107967239) is 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1c(N)noc1-c1cc(Br)sc1Br.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is CDRUOUKDGPXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c1-4(2)7-8(15-14-10(7)13)5-3-6(11)16-9(5)12/h3-4H,1-2H3,(H2,13,14).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine?
5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 366.08 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).