4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C21H23N3O2 — CID 110319544

IUPAC4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-14-5-7-16(8-6-14)20-24-23-18(26-20)13-22-19(25)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyJVUYQXKDJHFWBA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.27
Rot. Bonds4

About 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319544) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319544
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-14-5-7-16(8-6-14)20-24-23-18(26-20)13-22-19(25)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyJVUYQXKDJHFWBA-UHFFFAOYSA-N
XLogP4.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319786
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030230
2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 92559007
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319582
(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502260
(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 7502261

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319544) is 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1ccc(-c2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is JVUYQXKDJHFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-5-7-16(8-6-14)20-24-23-18(26-20)13-22-19(25)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).