2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole

C9H13BrN2O — CID 117190898

IUPAC2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1nc(CN2CCCCC2)co1
InChIInChI=1S/C9H13BrN2O/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2
InChIKeyUIJNTUUIEWWXQH-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.42
Rot. Bonds2

About 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole

2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole (PubChem CID 117190898) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole
PubChem CID117190898
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1nc(CN2CCCCC2)co1
InChIInChI=1S/C9H13BrN2O/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2
InChIKeyUIJNTUUIEWWXQH-UHFFFAOYSA-N
XLogP2.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
CID 117190893
2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
CID 117192193
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
4-(azepan-1-ylmethyl)-2-[4-(benzimidazol-1-yl)phenyl]-1,3-oxazole
CID 25204301
4-bromo-2-(piperidin-1-ylmethyl)pyridine
CID 91754381
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
5-(azepan-1-ylmethyl)-1,3-oxazole
CID 117192194
2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole
CID 11500937
[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782105
1-[(3-bromofuran-2-yl)methyl]piperidine
CID 130667893
4-(1,4-diazepan-1-ylmethyl)-2-propan-2-yl-1,3-oxazole;dihydrochloride
CID 154904151
2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204228

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole (CID 117190898) is 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole is Brc1nc(CN2CCCCC2)co1.
What is the InChIKey of 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is UIJNTUUIEWWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2.
What are the key properties of 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole?
2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 245.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(piperidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 117190898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).