2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole

C8H10BrNOS — CID 115046254

IUPAC2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCS1
InChIInChI=1S/C8H10BrNOS/c1-5-7(10-8(9)11-5)6-3-2-4-12-6/h6H,2-4H2,1H3
InChIKeyRDNVQWGIJCHSRG-UHFFFAOYSA-N
MW248.14 g/mol
LogP3.31
Rot. Bonds1

About 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole

2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole (PubChem CID 115046254) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
PubChem CID115046254
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCS1
InChIInChI=1S/C8H10BrNOS/c1-5-7(10-8(9)11-5)6-3-2-4-12-6/h6H,2-4H2,1H3
InChIKeyRDNVQWGIJCHSRG-UHFFFAOYSA-N
XLogP3.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
CID 115045484
2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
CID 115048381
2-methyl-4-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037360
[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
CID 115021194
N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine
CID 80636872
5-bromo-4-cyclopentyl-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 136729636
4-(4-bromophenyl)-5-methyl-2-(thiolan-2-yl)-1,3-thiazole
CID 80638887
[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
CID 115027578
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 80620897
8-methyl-2-(thiolan-2-yl)imidazo[1,2-a]pyridine
CID 117136459
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole (CID 115046254) is 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole is Cc1oc(Br)nc1C1CCCS1.
What is the InChIKey of 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole?
The InChIKey is RDNVQWGIJCHSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-5-7(10-8(9)11-5)6-3-2-4-12-6/h6H,2-4H2,1H3.
What are the key properties of 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole?
2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole has a molecular weight of 248.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 115046254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).