6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide

C23H25F2N3O4 — CID 155437520

IUPAC6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(CO)CC3)oc2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C23H25F2N3O4/c1-23(24,25)20-5-3-4-15(26-20)21(30)27-16-11-19-17(10-18(16)31-2)28-22(32-19)14-8-6-13(12-29)7-9-14/h3-5,10-11,13-14,29H,6-9,12H2,1-2H3,(H,27,30)
InChIKeyFJDSQLHSHVPIJP-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.86
Rot. Bonds6

About 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide (PubChem CID 155437520) has the molecular formula C23H25F2N3O4 and a molecular weight of 445.47 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide
PubChem CID155437520
Molecular FormulaC23H25F2N3O4
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Name6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(CO)CC3)oc2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C23H25F2N3O4/c1-23(24,25)20-5-3-4-15(26-20)21(30)27-16-11-19-17(10-18(16)31-2)28-22(32-19)14-8-6-13(12-29)7-9-14/h3-5,10-11,13-14,29H,6-9,12H2,1-2H3,(H,27,30)
InChIKeyFJDSQLHSHVPIJP-UHFFFAOYSA-N
XLogP4.86
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylaniline
CID 71455420
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211659
4-[(E)-2-[4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211661
4-[(E)-2-[4-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211865
4-[(E)-2-[4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211867
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 4527804
2-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-4-piperazin-1-ylbenzamide
CID 90468803
N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide
CID 129201831
N-[4-(6-acetamido-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 831341
N-(2-phenyl-1,3-benzoxazol-6-yl)acetamide
CID 1084683
N-(2-methyl-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzamide
CID 1472994
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]-4-methylbenzamide
CID 44581224

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide (CID 155437520) is 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide is COc1cc2nc(C3CCC(CO)CC3)oc2cc1NC(=O)c1cccc(C(C)(F)F)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide?
The InChIKey is FJDSQLHSHVPIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O4/c1-23(24,25)20-5-3-4-15(26-20)21(30)27-16-11-19-17(10-18(16)31-2)28-22(32-19)14-8-6-13(12-29)7-9-14/h3-5,10-11,13-14,29H,6-9,12H2,1-2H3,(H,27,30).
What are the key properties of 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155437520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).