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

C28H31N5O3 — CID 10624768

IUPACN-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C
InChIInChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
InChIKeyBAQFINVRIZNAMC-UHFFFAOYSA-N
MW485.59 g/mol
LogP5.25
Rot. Bonds9

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

N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 10624768) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID10624768
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C
InChIInChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
InChIKeyBAQFINVRIZNAMC-UHFFFAOYSA-N
XLogP5.25
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
CID 107780
SB 216641
CID 3292447
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 44351656
N-[3-(3-Dimethylaminopropyl)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
CID 10370874
N-[4-(2-fluoroethoxy)-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10578117
N-[4-Hydroxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide
CID 10600871
[4-[[4-[2-Methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]-2-(4-methylpiperazin-1-yl)phenyl] trifluoromethanesulfonate
CID 10627612
N-[4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10791443
2''-Methyl-4''-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carboxylic acid [2,3-Dihydro-1''-methylspiro(benzofuran-3,4''-piperidine)]-amide
CID 10838923
GR 127935 hydrochloride
CID 11497466
[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
CID 11591924
[5-methoxy-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
CID 44402894

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 10624768) is N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is BAQFINVRIZNAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34).
What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 10624768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).