N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H27F3N4O3 — CID 155448885

IUPACN-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1CCC(c2nc3cc(N4CCOCC4)c(NC(=O)c4cccc(C(F)(F)F)n4)cc3o2)CC1
InChIInChI=1S/C25H27F3N4O3/c1-15-5-7-16(8-6-15)24-31-19-13-20(32-9-11-34-12-10-32)18(14-21(19)35-24)30-23(33)17-3-2-4-22(29-17)25(26,27)28/h2-4,13-16H,5-12H2,1H3,(H,30,33)
InChIKeyBHQVZHCVBZMLLU-UHFFFAOYSA-N
MW488.51 g/mol
LogP5.62
Rot. Bonds4

About N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448885) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155448885
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1CCC(c2nc3cc(N4CCOCC4)c(NC(=O)c4cccc(C(F)(F)F)n4)cc3o2)CC1
InChIInChI=1S/C25H27F3N4O3/c1-15-5-7-16(8-6-15)24-31-19-13-20(32-9-11-34-12-10-32)18(14-21(19)35-24)30-23(33)17-3-2-4-22(29-17)25(26,27)28/h2-4,13-16H,5-12H2,1H3,(H,30,33)
InChIKeyBHQVZHCVBZMLLU-UHFFFAOYSA-N
XLogP5.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
2-(diethylamino)-N-(2-{4-[2-(diethylamino)acetylamino]phenyl}benzoxazol-5-yl)a cetamide
CID 661005
2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide
CID 90468803
2-(4-benzoyl-1-piperazinyl)-N-[4-(5-{[(4-benzoyl-1-piperazinyl)acetyl]amino}-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 45488824
3-butoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1613021
US10081629, Example 23
CID 118466445
US10081629, Example 38
CID 118466610
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 24751161
2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-4-yl]propanamide
CID 53238138
US10464919, Example 148
CID 154584643
4-Morpholineacetamide, N-[2-(4-ethylphenyl)-5-benzoxazolyl]-
CID 5275494
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 5275495

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448885) is N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC1CCC(c2nc3cc(N4CCOCC4)c(NC(=O)c4cccc(C(F)(F)F)n4)cc3o2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BHQVZHCVBZMLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15-5-7-16(8-6-15)24-31-19-13-20(32-9-11-34-12-10-32)18(14-21(19)35-24)30-23(33)17-3-2-4-22(29-17)25(26,27)28/h2-4,13-16H,5-12H2,1H3,(H,30,33).
What are the key properties of N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)-5-morpholin-4-yl-1,3-benzoxazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).