3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide

C14H15Cl2N3O3 — CID 146104788

IUPAC3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cnon1)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3/c1-14(2,13(21)17-6-11-7-18-22-19-11)12(20)8-3-9(15)5-10(16)4-8/h3-5,7,12,20H,6H2,1-2H3,(H,17,21)
InChIKeyLOBVSAZHBKWMBV-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.75
Rot. Bonds5

About 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide

3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide (PubChem CID 146104788) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
PubChem CID146104788
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cnon1)C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3/c1-14(2,13(21)17-6-11-7-18-22-19-11)12(20)8-3-9(15)5-10(16)4-8/h3-5,7,12,20H,6H2,1-2H3,(H,17,21)
InChIKeyLOBVSAZHBKWMBV-UHFFFAOYSA-N
XLogP2.75
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide (CID 146104788) is 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide is CC(C)(C(=O)NCc1cnon1)C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is LOBVSAZHBKWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-14(2,13(21)17-6-11-7-18-22-19-11)12(20)8-3-9(15)5-10(16)4-8/h3-5,7,12,20H,6H2,1-2H3,(H,17,21).
What are the key properties of 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide?
3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 344.20 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-3-hydroxy-2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 146104788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).