2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine

C21H25N3O5S — CID 18826346

IUPAC2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-5-7-17(8-6-16)30(25,26)21-20(29-19(23-21)18-4-2-13-28-18)22-9-3-10-24-11-14-27-15-12-24/h2,4-8,13,22H,3,9-12,14-15H2,1H3
InChIKeyQDVIRFAWIOOREC-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.21
Rot. Bonds8

About 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine

2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine (PubChem CID 18826346) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
PubChem CID18826346
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-5-7-17(8-6-16)30(25,26)21-20(29-19(23-21)18-4-2-13-28-18)22-9-3-10-24-11-14-27-15-12-24/h2,4-8,13,22H,3,9-12,14-15H2,1H3
InChIKeyQDVIRFAWIOOREC-UHFFFAOYSA-N
XLogP3.21
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine (CID 18826346) is 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The InChIKey is QDVIRFAWIOOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16-5-7-17(8-6-16)30(25,26)21-20(29-19(23-21)18-4-2-13-28-18)22-9-3-10-24-11-14-27-15-12-24/h2,4-8,13,22H,3,9-12,14-15H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine has a molecular weight of 431.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).