N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

C17H18F2N4O6S — CID 10138378

IUPACN-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CC#N)co1
InChIInChI=1S/C17H18F2N4O6S/c1-30(27,28)23-17-22-13(8-29-17)16(26)21-12(15(25)14(24)2-3-20)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12,14-15,24-25H,2,6H2,1H3,(H,21,26)(H,22,23)
InChIKeySONIRVREQFAETJ-UHFFFAOYSA-N
MW444.42 g/mol
LogP0.30
Rot. Bonds9

About N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (PubChem CID 10138378) has the molecular formula C17H18F2N4O6S and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
PubChem CID10138378
Molecular FormulaC17H18F2N4O6S
Molecular Weight444.42 g/mol
Exact Mass444.09
IUPAC NameN-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CC#N)co1
InChIInChI=1S/C17H18F2N4O6S/c1-30(27,28)23-17-22-13(8-29-17)16(26)21-12(15(25)14(24)2-3-20)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12,14-15,24-25H,2,6H2,1H3,(H,21,26)(H,22,23)
InChIKeySONIRVREQFAETJ-UHFFFAOYSA-N
XLogP0.30
TPSA165.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (CID 10138378) is N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is CS(=O)(=O)Nc1nc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C(O)CC#N)co1.
What is the InChIKey of N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The InChIKey is SONIRVREQFAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O6S/c1-30(27,28)23-17-22-13(8-29-17)16(26)21-12(15(25)14(24)2-3-20)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12,14-15,24-25H,2,6H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10138378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).