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

C16H17ClN2O5S — CID 99704153

IUPAC3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NS(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C16H17ClN2O5S/c1-10-14(15(18-24-10)12-4-2-3-5-13(12)17)16(20)19-25(21,22)9-11-6-7-23-8-11/h2-5,11H,6-9H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyMSFQWHGLJAHRKJ-LLVKDONJSA-N
MW384.84 g/mol
LogP2.40
Rot. Bonds5

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

3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide (PubChem CID 99704153) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
PubChem CID99704153
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NS(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C16H17ClN2O5S/c1-10-14(15(18-24-10)12-4-2-3-5-13(12)17)16(20)19-25(21,22)9-11-6-7-23-8-11/h2-5,11H,6-9H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyMSFQWHGLJAHRKJ-LLVKDONJSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide (CID 99704153) is 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NS(=O)(=O)C[C@@H]1CCOC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MSFQWHGLJAHRKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-10-14(15(18-24-10)12-4-2-3-5-13(12)17)16(20)19-25(21,22)9-11-6-7-23-8-11/h2-5,11H,6-9H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99704153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).