5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

C16H17ClN2O5S — CID 99812898

IUPAC5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOCC1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O5S/c17-13-4-2-1-3-12(13)15-14(18-10-24-15)16(20)19-25(21,22)9-11-5-7-23-8-6-11/h1-4,10-11H,5-9H2,(H,19,20)
InChIKeyKRUMAVBMZHTNJA-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.48
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (PubChem CID 99812898) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
PubChem CID99812898
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOCC1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O5S/c17-13-4-2-1-3-12(13)15-14(18-10-24-15)16(20)19-25(21,22)9-11-5-7-23-8-6-11/h1-4,10-11H,5-9H2,(H,19,20)
InChIKeyKRUMAVBMZHTNJA-UHFFFAOYSA-N
XLogP2.48
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (CID 99812898) is 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is O=C(NS(=O)(=O)CC1CCOCC1)c1ncoc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KRUMAVBMZHTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c17-13-4-2-1-3-12(13)15-14(18-10-24-15)16(20)19-25(21,22)9-11-5-7-23-8-6-11/h1-4,10-11H,5-9H2,(H,19,20).
What are the key properties of 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99812898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).