4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine

C20H15ClN2O5S — CID 18826456

IUPAC4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN2O5S/c1-26-15-5-2-4-14(12-15)22-19-20(23-18(28-19)17-6-3-11-27-17)29(24,25)16-9-7-13(21)8-10-16/h2-12,22H,1H3
InChIKeyQFHRGZPXLBRXCM-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.17
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826456) has the molecular formula C20H15ClN2O5S and a molecular weight of 430.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826456
Molecular FormulaC20H15ClN2O5S
Molecular Weight430.87 g/mol
Exact Mass430.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN2O5S/c1-26-15-5-2-4-14(12-15)22-19-20(23-18(28-19)17-6-3-11-27-17)29(24,25)16-9-7-13(21)8-10-16/h2-12,22H,1H3
InChIKeyQFHRGZPXLBRXCM-UHFFFAOYSA-N
XLogP5.17
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 18826417
4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
CID 18825622
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825642
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826375
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 3792980
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (CID 18826456) is 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is COc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is QFHRGZPXLBRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S/c1-26-15-5-2-4-14(12-15)22-19-20(23-18(28-19)17-6-3-11-27-17)29(24,25)16-9-7-13(21)8-10-16/h2-12,22H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 430.87 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).