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

C20H18ClN3O2 — CID 56683902

IUPAC[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-18(23-26-13)20(25)24-9-3-6-19(24)15-7-8-17(22-12-15)14-4-2-5-16(21)11-14/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3
InChIKeyDAFZNNUZXVOGHF-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.68
Rot. Bonds3

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

[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 56683902) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID56683902
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-18(23-26-13)20(25)24-9-3-6-19(24)15-7-8-17(22-12-15)14-4-2-5-16(21)11-14/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3
InChIKeyDAFZNNUZXVOGHF-UHFFFAOYSA-N
XLogP4.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 56683902) is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is DAFZNNUZXVOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-10-18(23-26-13)20(25)24-9-3-6-19(24)15-7-8-17(22-12-15)14-4-2-5-16(21)11-14/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3.
What are the key properties of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 367.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).