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

C20H15ClN2O4S — CID 3792980

IUPACN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H15ClN2O4S/c21-15-8-10-16(11-9-15)28(24,25)20-19(22-13-14-5-2-1-3-6-14)27-18(23-20)17-7-4-12-26-17/h1-12,22H,13H2
InChIKeyUHBHPVOUSZECBD-UHFFFAOYSA-N
MW414.87 g/mol
LogP5.03
Rot. Bonds6

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

N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (PubChem CID 3792980) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
PubChem CID3792980
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC NameN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H15ClN2O4S/c21-15-8-10-16(11-9-15)28(24,25)20-19(22-13-14-5-2-1-3-6-14)27-18(23-20)17-7-4-12-26-17/h1-12,22H,13H2
InChIKeyUHBHPVOUSZECBD-UHFFFAOYSA-N
XLogP5.03
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.87
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 10114722
4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine
CID 1244681
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 18826417
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824833
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826456
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
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 N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (CID 3792980) is N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The InChIKey is UHBHPVOUSZECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c21-15-8-10-16(11-9-15)28(24,25)20-19(22-13-14-5-2-1-3-6-14)27-18(23-20)17-7-4-12-26-17/h1-12,22H,13H2.
What are the key properties of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine has a molecular weight of 414.87 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 3792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).