N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide

C15H16N2O5S — CID 99807006

IUPACN-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1
InChIInChI=1S/C15H16N2O5S/c1-9(2)14-13(16-8-22-14)15(19)17-23(20,21)12-6-4-11(5-7-12)10(3)18/h4-9H,1-3H3,(H,17,19)
InChIKeyVPWGDHPTFCJVQQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.12
Rot. Bonds5

About N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 99807006) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID99807006
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1
InChIInChI=1S/C15H16N2O5S/c1-9(2)14-13(16-8-22-14)15(19)17-23(20,21)12-6-4-11(5-7-12)10(3)18/h4-9H,1-3H3,(H,17,19)
InChIKeyVPWGDHPTFCJVQQ-UHFFFAOYSA-N
XLogP2.12
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 99807006) is N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VPWGDHPTFCJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9(2)14-13(16-8-22-14)15(19)17-23(20,21)12-6-4-11(5-7-12)10(3)18/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99807006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).