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

C22H24N4O3 — CID 46541686

IUPACN,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3ccc(C(=O)N(C)C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-4-8-17(9-5-15)21-25-24-20(29-21)13-12-19(27)23-14-16-6-10-18(11-7-16)22(28)26(2)3/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyVBLCHCMEACVTDU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.00
Rot. Bonds7

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

N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide (PubChem CID 46541686) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
PubChem CID46541686
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3ccc(C(=O)N(C)C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-4-8-17(9-5-15)21-25-24-20(29-21)13-12-19(27)23-14-16-6-10-18(11-7-16)22(28)26(2)3/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyVBLCHCMEACVTDU-UHFFFAOYSA-N
XLogP3.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55742648
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
1-[(4-fluorophenyl)methyl]-3-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiourea
CID 8943221
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46494458
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18165181
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide (CID 46541686) is N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide is Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(C(=O)N(C)C)cc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide?
The InChIKey is VBLCHCMEACVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-8-17(9-5-15)21-25-24-20(29-21)13-12-19(27)23-14-16-6-10-18(11-7-16)22(28)26(2)3/h4-11H,12-14H2,1-3H3,(H,23,27).
What are the key properties of N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide?
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide is sourced from PubChem (CID 46541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).