4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine

C16H14N2O4S — CID 2219668

IUPAC4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-10-17-15-16(18-14(22-15)13-9-6-11-21-13)23(19,20)12-7-4-3-5-8-12/h2-9,11,17H,1,10H2
InChIKeyDHIJCRISWSWYQG-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.37
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 2219668) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID2219668
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-10-17-15-16(18-14(22-15)13-9-6-11-21-13)23(19,20)12-7-4-3-5-8-12/h2-9,11,17H,1,10H2
InChIKeyDHIJCRISWSWYQG-UHFFFAOYSA-N
XLogP3.37
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine (CID 2219668) is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is DHIJCRISWSWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-10-17-15-16(18-14(22-15)13-9-6-11-21-13)23(19,20)12-7-4-3-5-8-12/h2-9,11,17H,1,10H2.
What are the key properties of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 330.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2219668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).