N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

C24H18F3N3O2 — CID 11166486

IUPACN-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18F3N3O2/c1-15-10-11-19(29-22(31)17-8-5-9-18(12-17)24(25,26)27)13-20(15)30-23-28-14-21(32-23)16-6-3-2-4-7-16/h2-14H,1H3,(H,28,30)(H,29,31)
InChIKeyNTDCCVFLWYRGDH-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.66
Rot. Bonds5

About N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 11166486) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID11166486
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18F3N3O2/c1-15-10-11-19(29-22(31)17-8-5-9-18(12-17)24(25,26)27)13-20(15)30-23-28-14-21(32-23)16-6-3-2-4-7-16/h2-14H,1H3,(H,28,30)(H,29,31)
InChIKeyNTDCCVFLWYRGDH-UHFFFAOYSA-N
XLogP6.66
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
2-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329843
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329845
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964255
8-(5-m-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964285
Methyl 3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoate
CID 139434473

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 11166486) is N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NTDCCVFLWYRGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-15-10-11-19(29-22(31)17-8-5-9-18(12-17)24(25,26)27)13-20(15)30-23-28-14-21(32-23)16-6-3-2-4-7-16/h2-14H,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 437.42 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11166486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).