(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C10H13BrN2O2 — CID 80662471

IUPAC(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Br)CC2)no1
InChIInChI=1S/C10H13BrN2O2/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3
InChIKeyFYSZTFDTJKCWQN-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.98
Rot. Bonds1

About (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 80662471) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID80662471
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Br)CC2)no1
InChIInChI=1S/C10H13BrN2O2/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3
InChIKeyFYSZTFDTJKCWQN-UHFFFAOYSA-N
XLogP1.98
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
[4-(1-bromoethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 106839138
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
[(3aS,8aR)-2-(2-methylpropyl)-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134689585
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 80662471) is (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Br)CC2)no1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FYSZTFDTJKCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13/h6,8H,2-5H2,1H3.
What are the key properties of (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 273.13 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 80662471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).