[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C14H12Cl2N2O2 — CID 1093829

IUPAC[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCC1
InChIInChI=1S/C14H12Cl2N2O2/c15-9-3-4-10(11(16)7-9)13-8-12(17-20-13)14(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2
InChIKeyQEAPFMFBESGNOY-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.88
Rot. Bonds2

About [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1093829) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID1093829
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCC1
InChIInChI=1S/C14H12Cl2N2O2/c15-9-3-4-10(11(16)7-9)13-8-12(17-20-13)14(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2
InChIKeyQEAPFMFBESGNOY-UHFFFAOYSA-N
XLogP3.88
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 1093829) is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCC1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QEAPFMFBESGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-9-3-4-10(11(16)7-9)13-8-12(17-20-13)14(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2.
What are the key properties of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1093829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).