N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C30H33N5O2 — CID 44580449

IUPACN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)c(C)c2)o1
InChIInChI=1S/C30H33N5O2/c1-20-5-11-26(18-28(20)27-12-10-25(17-21(27)2)30-33-32-22(3)37-30)31-29(36)24-8-6-23(7-9-24)19-35-15-13-34(4)14-16-35/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36)
InChIKeyHSCYIVKNKNXHIF-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.33
Rot. Bonds6

About N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 44580449) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID44580449
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC NameN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)c(C)c2)o1
InChIInChI=1S/C30H33N5O2/c1-20-5-11-26(18-28(20)27-12-10-25(17-21(27)2)30-33-32-22(3)37-30)31-29(36)24-8-6-23(7-9-24)19-35-15-13-34(4)14-16-35/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36)
InChIKeyHSCYIVKNKNXHIF-UHFFFAOYSA-N
XLogP5.33
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
N-[(4-methanesulfonamidophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10162609
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
N-(4-methanesulfonamidophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093464
N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158364
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
1-(2,5-Dimethylphenyl)-4-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 15990110
(E)-N-(2-aminophenyl)-3-[4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707838
N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 118707842

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 44580449) is N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)c(C)c2)o1.
What is the InChIKey of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is HSCYIVKNKNXHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-20-5-11-26(18-28(20)27-12-10-25(17-21(27)2)30-33-32-22(3)37-30)31-29(36)24-8-6-23(7-9-24)19-35-15-13-34(4)14-16-35/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36).
What are the key properties of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 495.63 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 44580449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).