2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine

C18H14Br2N2O3S — CID 18826024

IUPAC2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O3S/c1-2-11-21-17-18(26(23,24)15-9-7-14(20)8-10-15)22-16(25-17)12-3-5-13(19)6-4-12/h2-10,21H,1,11H2
InChIKeyOEWHDACIQWUAEA-UHFFFAOYSA-N
MW498.20 g/mol
LogP5.30
Rot. Bonds6

About 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine

2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 18826024) has the molecular formula C18H14Br2N2O3S and a molecular weight of 498.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID18826024
Molecular FormulaC18H14Br2N2O3S
Molecular Weight498.20 g/mol
Exact Mass495.91
IUPAC Name2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O3S/c1-2-11-21-17-18(26(23,24)15-9-7-14(20)8-10-15)22-16(25-17)12-3-5-13(19)6-4-12/h2-10,21H,1,11H2
InChIKeyOEWHDACIQWUAEA-UHFFFAOYSA-N
XLogP5.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.20
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (CID 18826024) is 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is OEWHDACIQWUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O3S/c1-2-11-21-17-18(26(23,24)15-9-7-14(20)8-10-15)22-16(25-17)12-3-5-13(19)6-4-12/h2-10,21H,1,11H2.
What are the key properties of 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 498.20 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).