(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C14H13Cl2N3O2 — CID 126840478

IUPAC(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccnc(Cl)c2Cl)on1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-7-11(21-18-8)10-3-2-6-19(10)14(20)9-4-5-17-13(16)12(9)15/h4-5,7,10H,2-3,6H2,1H3
InChIKeyWBXPIRHHKXKEMZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.66
Rot. Bonds2

About (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 126840478) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID126840478
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccnc(Cl)c2Cl)on1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-7-11(21-18-8)10-3-2-6-19(10)14(20)9-4-5-17-13(16)12(9)15/h4-5,7,10H,2-3,6H2,1H3
InChIKeyWBXPIRHHKXKEMZ-UHFFFAOYSA-N
XLogP3.66
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,3-dichloro-4-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

[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
(6-chloropyridazin-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61051342
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809674
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70738062
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 126840478) is (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2ccnc(Cl)c2Cl)on1.
What is the InChIKey of (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WBXPIRHHKXKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8-7-11(21-18-8)10-3-2-6-19(10)14(20)9-4-5-17-13(16)12(9)15/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126840478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).