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

C23H20N4O3 — CID 78793077

IUPACN-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C23H20N4O3/c1-29-20-13-11-19(12-14-20)25-22(28)16-7-9-18(10-8-16)24-15-21-26-27-23(30-21)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,25,28)
InChIKeyWUXMMEFYIQEVCM-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.61
Rot. Bonds7

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

N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide (PubChem CID 78793077) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
PubChem CID78793077
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C23H20N4O3/c1-29-20-13-11-19(12-14-20)25-22(28)16-7-9-18(10-8-16)24-15-21-26-27-23(30-21)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,25,28)
InChIKeyWUXMMEFYIQEVCM-UHFFFAOYSA-N
XLogP4.61
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide (CID 78793077) is N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide is COc1ccc(NC(=O)c2ccc(NCc3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The InChIKey is WUXMMEFYIQEVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-20-13-11-19(12-14-20)25-22(28)16-7-9-18(10-8-16)24-15-21-26-27-23(30-21)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 78793077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).