N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H20ClN3O5S — CID 55667379

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C20H20ClN3O5S/c21-16-7-6-15(12-19(16)30(26,27)24-8-10-28-11-9-24)22-20(25)18-13-17(23-29-18)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,25)
InChIKeyMQVOJFMNKVZSMS-UHFFFAOYSA-N
MW449.92 g/mol
LogP2.49
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55667379) has the molecular formula C20H20ClN3O5S and a molecular weight of 449.92 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55667379
Molecular FormulaC20H20ClN3O5S
Molecular Weight449.92 g/mol
Exact Mass449.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C20H20ClN3O5S/c21-16-7-6-15(12-19(16)30(26,27)24-8-10-28-11-9-24)22-20(25)18-13-17(23-29-18)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,25)
InChIKeyMQVOJFMNKVZSMS-UHFFFAOYSA-N
XLogP2.49
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55667379) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MQVOJFMNKVZSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S/c21-16-7-6-15(12-19(16)30(26,27)24-8-10-28-11-9-24)22-20(25)18-13-17(23-29-18)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,22,25).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 449.92 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).