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

C10H15BrN2O — CID 115048381

IUPAC2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCCN1C
InChIInChI=1S/C10H15BrN2O/c1-7-9(12-10(11)14-7)8-5-3-4-6-13(8)2/h8H,3-6H2,1-2H3
InChIKeyWULIGEXEXDAODI-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.90
Rot. Bonds1

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

2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole (PubChem CID 115048381) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
PubChem CID115048381
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCCN1C
InChIInChI=1S/C10H15BrN2O/c1-7-9(12-10(11)14-7)8-5-3-4-6-13(8)2/h8H,3-6H2,1-2H3
InChIKeyWULIGEXEXDAODI-UHFFFAOYSA-N
XLogP2.90
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
CID 115045484
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
CID 115046254
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079949
8-bromo-2-(1-methylpiperidin-2-yl)imidazo[1,2-a]pyridine
CID 117136602
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
N-[5-[(2S)-1-methylpyrrolidin-2-yl]furan-2-yl]acetamide
CID 57261470
1-methyl-3-(1-methylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4669426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole (CID 115048381) is 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole is Cc1oc(Br)nc1C1CCCCN1C.
What is the InChIKey of 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole?
The InChIKey is WULIGEXEXDAODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7-9(12-10(11)14-7)8-5-3-4-6-13(8)2/h8H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole?
2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole has a molecular weight of 259.15 g/mol, XLogP of 2.90, 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-(1-methylpiperidin-2-yl)-1,3-oxazole is sourced from PubChem (CID 115048381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).