2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide

C15H18Cl2N4O2 — CID 133382176

IUPAC2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C15H18Cl2N4O2/c1-4-21(8-13(22)18-9(2)3)15-19-14(20-23-15)10-5-11(16)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H,18,22)
InChIKeyVPMYSAJWVLNLIM-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.39
Rot. Bonds6

About 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide

2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 133382176) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID133382176
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C15H18Cl2N4O2/c1-4-21(8-13(22)18-9(2)3)15-19-14(20-23-15)10-5-11(16)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H,18,22)
InChIKeyVPMYSAJWVLNLIM-UHFFFAOYSA-N
XLogP3.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 51223640
ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 46650148
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 107917960
3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
CID 167780415
ethyl 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 107917955
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 114015751
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide (CID 133382176) is 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is VPMYSAJWVLNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2/c1-4-21(8-13(22)18-9(2)3)15-19-14(20-23-15)10-5-11(16)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H,18,22).
What are the key properties of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide?
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 357.24 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 133382176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).