N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

C19H24N4O6S — CID 22394889

IUPACN-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCCC#N)co1
InChIInChI=1S/C19H24N4O6S/c1-30(27,28)23-19-22-15(12-29-19)18(26)21-14(11-13-7-3-2-4-8-13)17(25)16(24)9-5-6-10-20/h2-4,7-8,12,14,16-17,24-25H,5-6,9,11H2,1H3,(H,21,26)(H,22,23)
InChIKeyTWIQPTBIJPNVOP-UHFFFAOYSA-N
MW436.49 g/mol
LogP0.80
Rot. Bonds11

About N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide

N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (PubChem CID 22394889) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
PubChem CID22394889
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCCC#N)co1
InChIInChI=1S/C19H24N4O6S/c1-30(27,28)23-19-22-15(12-29-19)18(26)21-14(11-13-7-3-2-4-8-13)17(25)16(24)9-5-6-10-20/h2-4,7-8,12,14,16-17,24-25H,5-6,9,11H2,1H3,(H,21,26)(H,22,23)
InChIKeyTWIQPTBIJPNVOP-UHFFFAOYSA-N
XLogP0.80
TPSA165.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide (CID 22394889) is N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is CS(=O)(=O)Nc1nc(C(=O)NC(Cc2ccccc2)C(O)C(O)CCCC#N)co1.
What is the InChIKey of N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
The InChIKey is TWIQPTBIJPNVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-30(27,28)23-19-22-15(12-29-19)18(26)21-14(11-13-7-3-2-4-8-13)17(25)16(24)9-5-6-10-20/h2-4,7-8,12,14,16-17,24-25H,5-6,9,11H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide?
N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 0.80, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 22394889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).