cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone

C26H21F3N2O2 — CID 67377799

IUPACcyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(Nc3nc4cc(C(F)(F)F)ccc4o3)cc2)cc1)C1CCCC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-11-14-23-22(15-20)31-25(33-23)30-21-12-9-17(10-13-21)16-5-7-19(8-6-16)24(32)18-3-1-2-4-18/h5-15,18H,1-4H2,(H,30,31)
InChIKeyNUIAGFFXUSSJEW-UHFFFAOYSA-N
MW450.46 g/mol
LogP7.63
Rot. Bonds5

About cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone

cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone (PubChem CID 67377799) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
PubChem CID67377799
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Namecyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(Nc3nc4cc(C(F)(F)F)ccc4o3)cc2)cc1)C1CCCC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-11-14-23-22(15-20)31-25(33-23)30-21-12-9-17(10-13-21)16-5-7-19(8-6-16)24(32)18-3-1-2-4-18/h5-15,18H,1-4H2,(H,30,31)
InChIKeyNUIAGFFXUSSJEW-UHFFFAOYSA-N
XLogP7.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbonic acid;cyclopentyl-[4-[3-fluoro-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]phenyl]methanone
CID 67377586
trans-(1R,2R)-2-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11201134
trans-(1S,2S)-2-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 67359518
(2R)-2-[4-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 67359161
4-methyl-3-[2-[4-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 12945546
N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297309
trans-(1R,2R)-2-[4-[3-fluoro-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11547070
carbonic acid;cyclopentyl-[4-[4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
CID 87370036
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 134297222
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-benzoxazol-2-amine
CID 58137592
2-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 71915904

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone?
The IUPAC name of cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone (CID 67377799) is cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(Nc3nc4cc(C(F)(F)F)ccc4o3)cc2)cc1)C1CCCC1.
What is the InChIKey of cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone?
The InChIKey is NUIAGFFXUSSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c27-26(28,29)20-11-14-23-22(15-20)31-25(33-23)30-21-12-9-17(10-13-21)16-5-7-19(8-6-16)24(32)18-3-1-2-4-18/h5-15,18H,1-4H2,(H,30,31).
What are the key properties of cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone?
cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone has a molecular weight of 450.46 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]phenyl]phenyl]methanone is sourced from PubChem (CID 67377799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).