2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one

C10H10BrNO2S — CID 154634114

IUPAC2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccc(Br)s2)OC1=O
InChIInChI=1S/C10H10BrNO2S/c1-5(2)8-10(13)14-9(12-8)6-3-4-7(11)15-6/h3-5,8H,1-2H3
InChIKeyGZPHSBHNVCQRER-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.84
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one

2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 154634114) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID154634114
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccc(Br)s2)OC1=O
InChIInChI=1S/C10H10BrNO2S/c1-5(2)8-10(13)14-9(12-8)6-3-4-7(11)15-6/h3-5,8H,1-2H3
InChIKeyGZPHSBHNVCQRER-UHFFFAOYSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 154634114) is 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(c2ccc(Br)s2)OC1=O.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is GZPHSBHNVCQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c1-5(2)8-10(13)14-9(12-8)6-3-4-7(11)15-6/h3-5,8H,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 288.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 154634114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).