5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

C16H18N2O5S — CID 102560879

IUPAC5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NS(=O)(=O)CC2CCOC2)cc1
InChIInChI=1S/C16H18N2O5S/c1-11-2-4-13(5-3-11)15-14(17-10-23-15)16(19)18-24(20,21)9-12-6-7-22-8-12/h2-5,10,12H,6-9H2,1H3,(H,18,19)
InChIKeyQQBWCSYBYWDBAI-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.75
Rot. Bonds5

About 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (PubChem CID 102560879) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
PubChem CID102560879
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NS(=O)(=O)CC2CCOC2)cc1
InChIInChI=1S/C16H18N2O5S/c1-11-2-4-13(5-3-11)15-14(17-10-23-15)16(19)18-24(20,21)9-12-6-7-22-8-12/h2-5,10,12H,6-9H2,1H3,(H,18,19)
InChIKeyQQBWCSYBYWDBAI-UHFFFAOYSA-N
XLogP1.75
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 99812898
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 166232588
N-(oxolan-3-ylmethylsulfonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 119033627
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232273
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 120651301
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
CID 99704153
N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 99704126

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (CID 102560879) is 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NS(=O)(=O)CC2CCOC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QQBWCSYBYWDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11-2-4-13(5-3-11)15-14(17-10-23-15)16(19)18-24(20,21)9-12-6-7-22-8-12/h2-5,10,12H,6-9H2,1H3,(H,18,19).
What are the key properties of 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 102560879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).