1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone

C14H13Cl2NO2 — CID 151729307

IUPAC1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C
InChIInChI=1S/C14H13Cl2NO2/c1-7(2)13-12(8(3)18)17-14(19-13)10-5-4-9(15)6-11(10)16/h4-7H,1-3H3
InChIKeyRKFNOYIUKYYRJE-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.97
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone

1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone (PubChem CID 151729307) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone
PubChem CID151729307
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C
InChIInChI=1S/C14H13Cl2NO2/c1-7(2)13-12(8(3)18)17-14(19-13)10-5-4-9(15)6-11(10)16/h4-7H,1-3H3
InChIKeyRKFNOYIUKYYRJE-UHFFFAOYSA-N
XLogP4.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone (CID 151729307) is 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone is CC(=O)c1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone?
The InChIKey is RKFNOYIUKYYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-7(2)13-12(8(3)18)17-14(19-13)10-5-4-9(15)6-11(10)16/h4-7H,1-3H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone?
1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone has a molecular weight of 298.17 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 151729307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).