N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide

C16H20N2O5S — CID 91949838

IUPACN-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCS(=O)(=O)c1ccc(-c2cc(C(=O)NCC(C)O)no2)cc1
InChIInChI=1S/C16H20N2O5S/c1-3-8-24(21,22)13-6-4-12(5-7-13)15-9-14(18-23-15)16(20)17-10-11(2)19/h4-7,9,11,19H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGHPSSRCSEKQUCF-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.64
Rot. Bonds7

About N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide

N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 91949838) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID91949838
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCS(=O)(=O)c1ccc(-c2cc(C(=O)NCC(C)O)no2)cc1
InChIInChI=1S/C16H20N2O5S/c1-3-8-24(21,22)13-6-4-12(5-7-13)15-9-14(18-23-15)16(20)17-10-11(2)19/h4-7,9,11,19H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGHPSSRCSEKQUCF-UHFFFAOYSA-N
XLogP1.64
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide (CID 91949838) is N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide is CCCS(=O)(=O)c1ccc(-c2cc(C(=O)NCC(C)O)no2)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GHPSSRCSEKQUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-3-8-24(21,22)13-6-4-12(5-7-13)15-9-14(18-23-15)16(20)17-10-11(2)19/h4-7,9,11,19H,3,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91949838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).