3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide

C20H27N3O6S — CID 24981221

IUPAC3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C
InChIInChI=1S/C20H27N3O6S/c1-5-16-19(14(4)29-22-16)20(24)21-17-12-15(6-7-18(17)28-13(2)3)30(25,26)23-8-10-27-11-9-23/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyRVCBISNRLBCNKN-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.61
Rot. Bonds7

About 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 24981221) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID24981221
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C
InChIInChI=1S/C20H27N3O6S/c1-5-16-19(14(4)29-22-16)20(24)21-17-12-15(6-7-18(17)28-13(2)3)30(25,26)23-8-10-27-11-9-23/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyRVCBISNRLBCNKN-UHFFFAOYSA-N
XLogP2.61
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide (CID 24981221) is 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C.
What is the InChIKey of 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RVCBISNRLBCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-5-16-19(14(4)29-22-16)20(24)21-17-12-15(6-7-18(17)28-13(2)3)30(25,26)23-8-10-27-11-9-23/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,24).
What are the key properties of 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24981221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).