4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide

C29H34N4O2 — CID 166932570

IUPAC4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(c2ccc(C3=NC(c4ccccc4)ON3)cc2)C(C)CC)cc1
InChIInChI=1S/C29H34N4O2/c1-4-19-30-28(34)23-15-17-25(18-16-23)31-26(20(3)5-2)21-11-13-22(14-12-21)27-32-29(35-33-27)24-9-7-6-8-10-24/h6-18,20,26,29,31H,4-5,19H2,1-3H3,(H,30,34)(H,32,33)
InChIKeyFBGNAROFNQXBDM-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.01
Rot. Bonds10

About 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide

4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide (PubChem CID 166932570) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide
PubChem CID166932570
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(c2ccc(C3=NC(c4ccccc4)ON3)cc2)C(C)CC)cc1
InChIInChI=1S/C29H34N4O2/c1-4-19-30-28(34)23-15-17-25(18-16-23)31-26(20(3)5-2)21-11-13-22(14-12-21)27-32-29(35-33-27)24-9-7-6-8-10-24/h6-18,20,26,29,31H,4-5,19H2,1-3H3,(H,30,34)(H,32,33)
InChIKeyFBGNAROFNQXBDM-UHFFFAOYSA-N
XLogP6.01
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide with MolForge

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Related Compounds

3-[[4-[[1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methylbutyl]amino]benzoyl]amino]propanoic acid
CID 146236698
4-[1-(3-methylbut-3-enylamino)ethenyl]-N-[2-methyl-1-[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]butyl]aniline
CID 166932504
4-[[2-methyl-1-[4-(1-phenylethenoxymethyl)phenyl]propyl]amino]-N-propylbenzamide
CID 167292922
3-[[4-[[(1S)-2-methyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]butyl]amino]benzoyl]amino]propanoic acid
CID 146236820
ethyl 3-[[4-[[(1S)-2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]amino]benzoyl]amino]propanoate
CID 146250208
ethyl 3-[[4-[2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]propyl]benzoyl]amino]propanoate
CID 146250382
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
3-[[4-[[(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropyl]amino]benzoyl]amino]propanoic acid
CID 146236732
ethyl 4-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoate
CID 170268852
3-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 146250309
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide (CID 166932570) is 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(c2ccc(C3=NC(c4ccccc4)ON3)cc2)C(C)CC)cc1.
What is the InChIKey of 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide?
The InChIKey is FBGNAROFNQXBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-4-19-30-28(34)23-15-17-25(18-16-23)31-26(20(3)5-2)21-11-13-22(14-12-21)27-32-29(35-33-27)24-9-7-6-8-10-24/h6-18,20,26,29,31H,4-5,19H2,1-3H3,(H,30,34)(H,32,33).
What are the key properties of 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide?
4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide has a molecular weight of 470.62 g/mol, XLogP of 6.01, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-1-[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]butyl]amino]-N-propylbenzamide is sourced from PubChem (CID 166932570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).