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

C19H19BrN2O3S — CID 18825792

IUPAC4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
SMILESCCCCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19BrN2O3S/c1-2-3-13-21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-12,21H,2-3,13H2,1H3
InChIKeyUKLSAULNMHSUOD-UHFFFAOYSA-N
MW435.34 g/mol
LogP5.15
Rot. Bonds7

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

4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine (PubChem CID 18825792) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
PubChem CID18825792
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
SMILESCCCCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19BrN2O3S/c1-2-3-13-21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-12,21H,2-3,13H2,1H3
InChIKeyUKLSAULNMHSUOD-UHFFFAOYSA-N
XLogP5.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824702
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 4704826
N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824708
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18825810
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
N-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 4825674
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826024
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine (CID 18825792) is 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine is CCCCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine?
The InChIKey is UKLSAULNMHSUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-2-3-13-21-18-19(26(23,24)16-7-5-4-6-8-16)22-17(25-18)14-9-11-15(20)12-10-14/h4-12,21H,2-3,13H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine has a molecular weight of 435.34 g/mol, XLogP of 5.15, 7 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-butyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).