4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C21H24N4O2S — CID 43974602

IUPAC4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)c3ccc(N(C)C)cc3)o2)cc1
InChIInChI=1S/C21H24N4O2S/c1-14(2)28-18-11-5-15(6-12-18)13-19-23-24-21(27-19)22-20(26)16-7-9-17(10-8-16)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,24,26)
InChIKeyPDJUQOKAQALGNO-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.48
Rot. Bonds7

About 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974602) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43974602
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)c3ccc(N(C)C)cc3)o2)cc1
InChIInChI=1S/C21H24N4O2S/c1-14(2)28-18-11-5-15(6-12-18)13-19-23-24-21(27-19)22-20(26)16-7-9-17(10-8-16)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,24,26)
InChIKeyPDJUQOKAQALGNO-UHFFFAOYSA-N
XLogP4.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43973311
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974579
2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974736
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974001
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 16917902
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974602) is 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CC(C)Sc1ccc(Cc2nnc(NC(=O)c3ccc(N(C)C)cc3)o2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PDJUQOKAQALGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(2)28-18-11-5-15(6-12-18)13-19-23-24-21(27-19)22-20(26)16-7-9-17(10-8-16)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,24,26).
What are the key properties of 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).