2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole

C9H8BrNOS — CID 58664159

IUPAC2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)s2)oc1C
InChIInChI=1S/C9H8BrNOS/c1-5-6(2)12-9(11-5)7-3-4-8(10)13-7/h3-4H,1-2H3
InChIKeyLXMCXDPCHBDIMA-UHFFFAOYSA-N
MW258.14 g/mol
LogP3.78
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole

2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole (PubChem CID 58664159) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
PubChem CID58664159
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Br)s2)oc1C
InChIInChI=1S/C9H8BrNOS/c1-5-6(2)12-9(11-5)7-3-4-8(10)13-7/h3-4H,1-2H3
InChIKeyLXMCXDPCHBDIMA-UHFFFAOYSA-N
XLogP3.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole (CID 58664159) is 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole is Cc1nc(-c2ccc(Br)s2)oc1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is LXMCXDPCHBDIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c1-5-6(2)12-9(11-5)7-3-4-8(10)13-7/h3-4H,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole?
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 258.14 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 58664159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).