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

C24H21FN4O3 — CID 86919033

IUPAC4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCc2nc(-c3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C24H21FN4O3/c1-15-7-8-17(13-19(15)25)23-28-22(32-29-23)14-26-18-11-9-16(10-12-18)24(30)27-20-5-3-4-6-21(20)31-2/h3-13,26H,14H2,1-2H3,(H,27,30)
InChIKeyMFDXQWCUWVOSCM-UHFFFAOYSA-N
MW432.46 g/mol
LogP5.06
Rot. Bonds7

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

4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 86919033) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID86919033
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCc2nc(-c3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C24H21FN4O3/c1-15-7-8-17(13-19(15)25)23-28-22(32-29-23)14-26-18-11-9-16(10-12-18)24(30)27-20-5-3-4-6-21(20)31-2/h3-13,26H,14H2,1-2H3,(H,27,30)
InChIKeyMFDXQWCUWVOSCM-UHFFFAOYSA-N
XLogP5.06
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline
CID 55409486
N-(2-methoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 71922397
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methoxyphenoxy)phenyl]propanamide
CID 55925263
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylpropyl)benzamide
CID 86930943
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
CID 55512514
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 86908644
N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
CID 119050113
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide (CID 86919033) is 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NCc2nc(-c3ccc(C)c(F)c3)no2)cc1.
What is the InChIKey of 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is MFDXQWCUWVOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15-7-8-17(13-19(15)25)23-28-22(32-29-23)14-26-18-11-9-16(10-12-18)24(30)27-20-5-3-4-6-21(20)31-2/h3-13,26H,14H2,1-2H3,(H,27,30).
What are the key properties of 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide?
4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 432.46 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 86919033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).