N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

C19H22F2N4O6S — CID 10162364

IUPACN-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide
SMILESCN(c1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CCC#N)co1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N4O6S/c1-25(32(2,29)30)19-24-15(10-31-19)18(28)23-14(17(27)16(26)4-3-5-22)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,26-27H,3-4,8H2,1-2H3,(H,23,28)
InChIKeyJQVFRUWJPTUFPW-UHFFFAOYSA-N
MW472.47 g/mol
LogP0.72
Rot. Bonds10

About N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide (PubChem CID 10162364) has the molecular formula C19H22F2N4O6S and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide
PubChem CID10162364
Molecular FormulaC19H22F2N4O6S
Molecular Weight472.47 g/mol
Exact Mass472.12
IUPAC NameN-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide
SMILESCN(c1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CCC#N)co1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N4O6S/c1-25(32(2,29)30)19-24-15(10-31-19)18(28)23-14(17(27)16(26)4-3-5-22)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,26-27H,3-4,8H2,1-2H3,(H,23,28)
InChIKeyJQVFRUWJPTUFPW-UHFFFAOYSA-N
XLogP0.72
TPSA156.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide (CID 10162364) is N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide is CN(c1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CCC#N)co1)S(C)(=O)=O.
What is the InChIKey of N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide?
The InChIKey is JQVFRUWJPTUFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O6S/c1-25(32(2,29)30)19-24-15(10-31-19)18(28)23-14(17(27)16(26)4-3-5-22)8-11-6-12(20)9-13(21)7-11/h6-7,9-10,14,16-17,26-27H,3-4,8H2,1-2H3,(H,23,28).
What are the key properties of N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide?
N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxyhexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10162364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).