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

C18H15BrN2O3S — CID 18825810

IUPAC4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3S/c1-2-12-20-17-18(25(22,23)15-6-4-3-5-7-15)21-16(24-17)13-8-10-14(19)11-9-13/h2-11,20H,1,12H2
InChIKeyYPWPNSKJSQDBLV-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.53
Rot. Bonds6

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

4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 18825810) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID18825810
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC Name4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3S/c1-2-12-20-17-18(25(22,23)15-6-4-3-5-7-15)21-16(24-17)13-8-10-14(19)11-9-13/h2-11,20H,1,12H2
InChIKeyYPWPNSKJSQDBLV-UHFFFAOYSA-N
XLogP4.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826024
4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826076
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 2964752
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
CID 18825792
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826640
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826829
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824702

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine (CID 18825810) is 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is YPWPNSKJSQDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-2-12-20-17-18(25(22,23)15-6-4-3-5-7-15)21-16(24-17)13-8-10-14(19)11-9-13/h2-11,20H,1,12H2.
What are the key properties of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 419.30 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).