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

C14H15ClN2O4S — CID 71974743

IUPACN-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-9(2)13-12(16-8-21-13)14(18)17-22(19,20)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyMUVIAJIJLPBULE-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.71
Rot. Bonds5

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

N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 71974743) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID71974743
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC NameN-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-9(2)13-12(16-8-21-13)14(18)17-22(19,20)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyMUVIAJIJLPBULE-UHFFFAOYSA-N
XLogP2.71
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 71974743) is N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is MUVIAJIJLPBULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-9(2)13-12(16-8-21-13)14(18)17-22(19,20)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71974743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).