(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C14H14BrN3O2 — CID 66465090

IUPAC(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccc(Br)nc2)on1
InChIInChI=1S/C14H14BrN3O2/c1-9-7-12(20-17-9)11-3-2-6-18(11)14(19)10-4-5-13(15)16-8-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyWLHHWFKFKNRMMQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.12
Rot. Bonds2

About (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 66465090) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID66465090
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccc(Br)nc2)on1
InChIInChI=1S/C14H14BrN3O2/c1-9-7-12(20-17-9)11-3-2-6-18(11)14(19)10-4-5-13(15)16-8-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyWLHHWFKFKNRMMQ-UHFFFAOYSA-N
XLogP3.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-bromophenyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61109953
1-benzothiophen-5-yl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 70759416
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(5-bromo-3-methylfuran-2-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 47287763
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809692
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 66465090) is (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2ccc(Br)nc2)on1.
What is the InChIKey of (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WLHHWFKFKNRMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-7-12(20-17-9)11-3-2-6-18(11)14(19)10-4-5-13(15)16-8-10/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66465090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).