3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

C19H21N3O5S — CID 8615701

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-18(14(2)27-22-13)9-10-19(23)21-15-5-7-17(8-6-15)28(24,25)20-12-16-4-3-11-26-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyLLMOJVDGVWHQEP-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.93
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (PubChem CID 8615701) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
PubChem CID8615701
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13-18(14(2)27-22-13)9-10-19(23)21-15-5-7-17(8-6-15)28(24,25)20-12-16-4-3-11-26-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyLLMOJVDGVWHQEP-UHFFFAOYSA-N
XLogP2.93
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35337246
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 30932866
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (CID 8615701) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The InChIKey is LLMOJVDGVWHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13-18(14(2)27-22-13)9-10-19(23)21-15-5-7-17(8-6-15)28(24,25)20-12-16-4-3-11-26-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide has a molecular weight of 403.46 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8615701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).