N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide

C24H22F3N5O2 — CID 16747694

IUPACN-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESN#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33)
InChIKeyGNNDELPJNRLQIM-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.40
Rot. Bonds6

About N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide

N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide (PubChem CID 16747694) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide
PubChem CID16747694
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESN#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33)
InChIKeyGNNDELPJNRLQIM-UHFFFAOYSA-N
XLogP5.40
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide (CID 16747694) is N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide is N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1.
What is the InChIKey of N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GNNDELPJNRLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33).
What are the key properties of N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide?
N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-cyano-4-[2-(trifluoromethyl)phenyl]cyclohexyl]methylamino]-3-pyridinyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16747694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).