N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C16H20ClN3O2 — CID 70467827

IUPACN-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCc1ccc(Cl)c(CC)c1N(Cc1nnc(C)o1)C(C)=O
InChIInChI=1S/C16H20ClN3O2/c1-5-12-7-8-14(17)13(6-2)16(12)20(11(4)21)9-15-19-18-10(3)22-15/h7-8H,5-6,9H2,1-4H3
InChIKeyYPCSVVVGZWBDEC-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.71
Rot. Bonds5

About N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 70467827) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID70467827
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCc1ccc(Cl)c(CC)c1N(Cc1nnc(C)o1)C(C)=O
InChIInChI=1S/C16H20ClN3O2/c1-5-12-7-8-14(17)13(6-2)16(12)20(11(4)21)9-15-19-18-10(3)22-15/h7-8H,5-6,9H2,1-4H3
InChIKeyYPCSVVVGZWBDEC-UHFFFAOYSA-N
XLogP3.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 70467827) is N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCc1ccc(Cl)c(CC)c1N(Cc1nnc(C)o1)C(C)=O.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is YPCSVVVGZWBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-5-12-7-8-14(17)13(6-2)16(12)20(11(4)21)9-15-19-18-10(3)22-15/h7-8H,5-6,9H2,1-4H3.
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 321.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 70467827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).