3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one

C14H18Cl2N2O3 — CID 70608470

IUPAC3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one
SMILESCC(C)Oc1cc(N2NC(C(C)C)OC2=O)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-7(2)13-17-18(14(19)21-13)11-6-12(20-8(3)4)10(16)5-9(11)15/h5-8,13,17H,1-4H3
InChIKeyVPDLHMKXRXMDQH-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.22
Rot. Bonds4

About 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one

3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one (PubChem CID 70608470) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one
PubChem CID70608470
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one
SMILESCC(C)Oc1cc(N2NC(C(C)C)OC2=O)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-7(2)13-17-18(14(19)21-13)11-6-12(20-8(3)4)10(16)5-9(11)15/h5-8,13,17H,1-4H3
InChIKeyVPDLHMKXRXMDQH-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one (CID 70608470) is 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one is CC(C)Oc1cc(N2NC(C(C)C)OC2=O)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one?
The InChIKey is VPDLHMKXRXMDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-7(2)13-17-18(14(19)21-13)11-6-12(20-8(3)4)10(16)5-9(11)15/h5-8,13,17H,1-4H3.
What are the key properties of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one?
3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one has a molecular weight of 333.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 70608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).