N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide

C20H18F3N3O2 — CID 146461205

IUPACN-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)c3noc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C20H18F3N3O2/c1-12-4-10-15(11-5-12)24-16(27)13-6-8-14(9-7-13)19(2,3)17-25-18(28-26-17)20(21,22)23/h4-11H,1-3H3,(H,24,27)
InChIKeyMMVZAMQYOWWWAW-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.98
Rot. Bonds4

About N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide

N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide (PubChem CID 146461205) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
PubChem CID146461205
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(C)(C)c3noc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C20H18F3N3O2/c1-12-4-10-15(11-5-12)24-16(27)13-6-8-14(9-7-13)19(2,3)17-25-18(28-26-17)20(21,22)23/h4-11H,1-3H3,(H,24,27)
InChIKeyMMVZAMQYOWWWAW-UHFFFAOYSA-N
XLogP4.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide
CID 146461134
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777420
N-(6-amino-3-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813751
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 178047398
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 59581444
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide (CID 146461205) is N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide is Cc1ccc(NC(=O)c2ccc(C(C)(C)c3noc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide?
The InChIKey is MMVZAMQYOWWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-4-10-15(11-5-12)24-16(27)13-6-8-14(9-7-13)19(2,3)17-25-18(28-26-17)20(21,22)23/h4-11H,1-3H3,(H,24,27).
What are the key properties of N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide?
N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide is sourced from PubChem (CID 146461205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).