N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide

C17H23N3O4S — CID 20629196

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13(2)25(22,23)19-10-4-3-5-17(21)20-15-8-6-14(7-9-15)16-11-18-12-24-16/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyVPRGUSJYUZLNAF-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.78
Rot. Bonds9

About N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629196) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629196
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13(2)25(22,23)19-10-4-3-5-17(21)20-15-8-6-14(7-9-15)16-11-18-12-24-16/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyVPRGUSJYUZLNAF-UHFFFAOYSA-N
XLogP2.78
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79286058
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890099
N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629231

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629196) is N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is VPRGUSJYUZLNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13(2)25(22,23)19-10-4-3-5-17(21)20-15-8-6-14(7-9-15)16-11-18-12-24-16/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 365.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).