N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide

C23H22F3N5O3 — CID 55750212

IUPACN'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H22F3N5O3/c24-23(25,26)14-3-6-19(27-12-14)31-9-7-15(8-10-31)28-20(32)21(33)29-16-4-5-18-17(11-16)30-22(34-18)13-1-2-13/h3-6,11-13,15H,1-2,7-10H2,(H,28,32)(H,29,33)
InChIKeyLQGLLWHDOSWQCH-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.84
Rot. Bonds4

About N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide

N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide (PubChem CID 55750212) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide
PubChem CID55750212
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H22F3N5O3/c24-23(25,26)14-3-6-19(27-12-14)31-9-7-15(8-10-31)28-20(32)21(33)29-16-4-5-18-17(11-16)30-22(34-18)13-1-2-13/h3-6,11-13,15H,1-2,7-10H2,(H,28,32)(H,29,33)
InChIKeyLQGLLWHDOSWQCH-UHFFFAOYSA-N
XLogP3.84
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide?
The IUPAC name of N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide (CID 55750212) is N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide?
The canonical SMILES for N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide is O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide?
The InChIKey is LQGLLWHDOSWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c24-23(25,26)14-3-6-19(27-12-14)31-9-7-15(8-10-31)28-20(32)21(33)29-16-4-5-18-17(11-16)30-22(34-18)13-1-2-13/h3-6,11-13,15H,1-2,7-10H2,(H,28,32)(H,29,33).
What are the key properties of N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide?
N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide has a molecular weight of 473.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxamide is sourced from PubChem (CID 55750212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).