2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide

C21H24N4O3 — CID 92559007

IUPAC2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnc(CNC(=O)COc3ccc(C(C)(C)C)cc3)o2)cn1
InChIInChI=1S/C21H24N4O3/c1-14-5-6-15(11-22-14)20-25-24-19(28-20)12-23-18(26)13-27-17-9-7-16(8-10-17)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,23,26)
InChIKeyMSVAUULEMGEMFS-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 92559007) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID92559007
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnc(CNC(=O)COc3ccc(C(C)(C)C)cc3)o2)cn1
InChIInChI=1S/C21H24N4O3/c1-14-5-6-15(11-22-14)20-25-24-19(28-20)12-23-18(26)13-27-17-9-7-16(8-10-17)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,23,26)
InChIKeyMSVAUULEMGEMFS-UHFFFAOYSA-N
XLogP3.43
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
2-(2,6-dimethoxyphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 92559006
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
5-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-3-carboxamide
CID 92559013
2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
2-(4-tert-butylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6494855
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 92559007) is 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is Cc1ccc(-c2nnc(CNC(=O)COc3ccc(C(C)(C)C)cc3)o2)cn1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is MSVAUULEMGEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-5-6-15(11-22-14)20-25-24-19(28-20)12-23-18(26)13-27-17-9-7-16(8-10-17)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 92559007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).