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

C28H29N5O3 — CID 10624680

IUPACN-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(-c3ccc(C(=O)Nc4ccc(O)c(N5CCN(C)CC5)c4)cc3)c(C)c2)o1
InChIInChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35)
InChIKeyNLGSHZDQUKRUEL-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.73
Rot. Bonds5

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

N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10624680) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10624680
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(-c3ccc(C(=O)Nc4ccc(O)c(N5CCN(C)CC5)c4)cc3)c(C)c2)o1
InChIInChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35)
InChIKeyNLGSHZDQUKRUEL-UHFFFAOYSA-N
XLogP4.73
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10135552
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10323598
N-(2-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093462
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 19007057
[4-[[4-[2-Methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]-2-(4-methylpiperazin-1-yl)phenyl] methanesulfonate
CID 10530932
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 10673854
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
N-(2-hydroxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18126283
3-fluoro-N-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60542267
6-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-3-carboxylic acid (3-morpholin-4yl-phenyl)-amide
CID 10049619
N-[3-(Dimethylaminomethyl)-4-methoxyphenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide
CID 10276091

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10624680) is N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(-c3ccc(C(=O)Nc4ccc(O)c(N5CCN(C)CC5)c4)cc3)c(C)c2)o1.
What is the InChIKey of N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is NLGSHZDQUKRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35).
What are the key properties of N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10624680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).