5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide

C15H18N2O4S — CID 91653068

IUPAC5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H18N2O4S/c1-10(2)13-6-4-12(5-7-13)8-22(19,20)17-15(18)14-11(3)21-9-16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKIQDSMZTYCDCJJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.37
Rot. Bonds5

About 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide (PubChem CID 91653068) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide
PubChem CID91653068
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H18N2O4S/c1-10(2)13-6-4-12(5-7-13)8-22(19,20)17-15(18)14-11(3)21-9-16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyKIQDSMZTYCDCJJ-UHFFFAOYSA-N
XLogP2.37
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide (CID 91653068) is 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KIQDSMZTYCDCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10(2)13-6-4-12(5-7-13)8-22(19,20)17-15(18)14-11(3)21-9-16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91653068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).