4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

C17H14BrFN2O3S — CID 18826901

IUPAC4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3S/c1-21(2)17-16(25(22,23)12-9-7-11(18)8-10-12)20-15(24-17)13-5-3-4-6-14(13)19/h3-10H,1-2H3
InChIKeyXHPCBRLCZQMIIS-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.14
Rot. Bonds4

About 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 18826901) has the molecular formula C17H14BrFN2O3S and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID18826901
Molecular FormulaC17H14BrFN2O3S
Molecular Weight425.28 g/mol
Exact Mass423.99
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3S/c1-21(2)17-16(25(22,23)12-9-7-11(18)8-10-12)20-15(24-17)13-5-3-4-6-14(13)19/h3-10H,1-2H3
InChIKeyXHPCBRLCZQMIIS-UHFFFAOYSA-N
XLogP4.14
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (CID 18826901) is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is XHPCBRLCZQMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3S/c1-21(2)17-16(25(22,23)12-9-7-11(18)8-10-12)20-15(24-17)13-5-3-4-6-14(13)19/h3-10H,1-2H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 425.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).