N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H21N3O4S — CID 110619652

IUPACN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O4S/c1-28(25,26)23-17-11-9-15(10-12-17)6-5-13-21-20(24)18-14-19(27-22-18)16-7-3-2-4-8-16/h2-4,7-12,14,23H,5-6,13H2,1H3,(H,21,24)
InChIKeyKDQPUTOTMSTTCS-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.08
Rot. Bonds8

About N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110619652) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110619652
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O4S/c1-28(25,26)23-17-11-9-15(10-12-17)6-5-13-21-20(24)18-14-19(27-22-18)16-7-3-2-4-8-16/h2-4,7-12,14,23H,5-6,13H2,1H3,(H,21,24)
InChIKeyKDQPUTOTMSTTCS-UHFFFAOYSA-N
XLogP3.08
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.08
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

N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70777871
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876016
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572189
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 110619652) is N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CS(=O)(=O)Nc1ccc(CCCNC(=O)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KDQPUTOTMSTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-28(25,26)23-17-11-9-15(10-12-17)6-5-13-21-20(24)18-14-19(27-22-18)16-7-3-2-4-8-16/h2-4,7-12,14,23H,5-6,13H2,1H3,(H,21,24).
What are the key properties of N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).