N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

C18H23F2N3O7S — CID 10161849

IUPACN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCOCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1coc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H23F2N3O7S/c1-29-4-3-15(24)16(25)13(7-10-5-11(19)8-12(20)6-10)21-17(26)14-9-30-18(22-14)23-31(2,27)28/h5-6,8-9,13,15-16,24-25H,3-4,7H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyLWJFOYTUFPWTQK-UHFFFAOYSA-N
MW463.46 g/mol
LogP0.42
Rot. Bonds11

About N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (PubChem CID 10161849) has the molecular formula C18H23F2N3O7S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
PubChem CID10161849
Molecular FormulaC18H23F2N3O7S
Molecular Weight463.46 g/mol
Exact Mass463.12
IUPAC NameN-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCOCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1coc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H23F2N3O7S/c1-29-4-3-15(24)16(25)13(7-10-5-11(19)8-12(20)6-10)21-17(26)14-9-30-18(22-14)23-31(2,27)28/h5-6,8-9,13,15-16,24-25H,3-4,7H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyLWJFOYTUFPWTQK-UHFFFAOYSA-N
XLogP0.42
TPSA150.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (CID 10161849) is N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is COCCC(O)C(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1coc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The InChIKey is LWJFOYTUFPWTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O7S/c1-29-4-3-15(24)16(25)13(7-10-5-11(19)8-12(20)6-10)21-17(26)14-9-30-18(22-14)23-31(2,27)28/h5-6,8-9,13,15-16,24-25H,3-4,7H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 0.42, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methoxyhexan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10161849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).