N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C25H30N4O5S — CID 29251421

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H30N4O5S/c1-4-28(5-2)22-12-11-20(35(31,32)29-13-15-33-16-14-29)17-21(22)26-25(30)23-18(3)34-27-24(23)19-9-7-6-8-10-19/h6-12,17H,4-5,13-16H2,1-3H3,(H,26,30)
InChIKeyXGPTWMRUHDBEIE-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 29251421) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID29251421
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H30N4O5S/c1-4-28(5-2)22-12-11-20(35(31,32)29-13-15-33-16-14-29)17-21(22)26-25(30)23-18(3)34-27-24(23)19-9-7-6-8-10-19/h6-12,17H,4-5,13-16H2,1-3H3,(H,26,30)
InChIKeyXGPTWMRUHDBEIE-UHFFFAOYSA-N
XLogP3.77
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 29251421) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XGPTWMRUHDBEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-4-28(5-2)22-12-11-20(35(31,32)29-13-15-33-16-14-29)17-21(22)26-25(30)23-18(3)34-27-24(23)19-9-7-6-8-10-19/h6-12,17H,4-5,13-16H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 29251421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).