3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide

C19H24N4O5S — CID 43031283

IUPAC3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)on1
InChIInChI=1S/C19H24N4O5S/c1-14-12-18(28-21-14)19(24)20-16-13-15(4-5-17(16)22-6-2-3-7-22)29(25,26)23-8-10-27-11-9-23/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,24)
InChIKeyQCFBGDVRVUAXTK-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.86
Rot. Bonds5

About 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43031283) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID43031283
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)on1
InChIInChI=1S/C19H24N4O5S/c1-14-12-18(28-21-14)19(24)20-16-13-15(4-5-17(16)22-6-2-3-7-22)29(25,26)23-8-10-27-11-9-23/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,24)
InChIKeyQCFBGDVRVUAXTK-UHFFFAOYSA-N
XLogP1.86
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide (CID 43031283) is 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)on1.
What is the InChIKey of 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is QCFBGDVRVUAXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-14-12-18(28-21-14)19(24)20-16-13-15(4-5-17(16)22-6-2-3-7-22)29(25,26)23-8-10-27-11-9-23/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43031283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).