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

C25H25ClF3N3O2 — CID 44815946

IUPAC2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNCc2cc(-c3ccccc3)no2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C25H25ClF3N3O2/c26-22-11-8-18(25(27,28)29)12-21(22)24(33)31-19-9-6-16(7-10-19)14-30-15-20-13-23(32-34-20)17-4-2-1-3-5-17/h1-5,8,11-13,16,19,30H,6-7,9-10,14-15H2,(H,31,33)
InChIKeyGBGYTEHAZPRQOG-UHFFFAOYSA-N
MW491.94 g/mol
LogP6.09
Rot. Bonds7

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

2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 44815946) has the molecular formula C25H25ClF3N3O2 and a molecular weight of 491.94 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID44815946
Molecular FormulaC25H25ClF3N3O2
Molecular Weight491.94 g/mol
Exact Mass491.16
IUPAC Name2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNCc2cc(-c3ccccc3)no2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C25H25ClF3N3O2/c26-22-11-8-18(25(27,28)29)12-21(22)24(33)31-19-9-6-16(7-10-19)14-30-15-20-13-23(32-34-20)17-4-2-1-3-5-17/h1-5,8,11-13,16,19,30H,6-7,9-10,14-15H2,(H,31,33)
InChIKeyGBGYTEHAZPRQOG-UHFFFAOYSA-N
XLogP6.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-N-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317493
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
N-[4-[[(5-benzyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)amino]methyl]cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 58317297
2-chloro-N-[4-[[[5-chloro-6-(trideuteriomethyl)-3-pyridinyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 44815946) is 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(CNCc2cc(-c3ccccc3)no2)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is GBGYTEHAZPRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O2/c26-22-11-8-18(25(27,28)29)12-21(22)24(33)31-19-9-6-16(7-10-19)14-30-15-20-13-23(32-34-20)17-4-2-1-3-5-17/h1-5,8,11-13,16,19,30H,6-7,9-10,14-15H2,(H,31,33).
What are the key properties of 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 491.94 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(3-phenyl-1,2-oxazol-5-yl)methylamino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).