4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine

C22H18N2O4S — CID 6264610

IUPAC4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1
InChIInChI=1S/C22H18N2O4S/c25-29(26,19-11-5-2-6-12-19)22-21(23-16-18-10-7-15-27-18)28-20(24-22)14-13-17-8-3-1-4-9-17/h1-15,23H,16H2/b14-13+
InChIKeyDNEWPNVGWSNACC-BUHFOSPRSA-N
MW406.46 g/mol
LogP4.88
Rot. Bonds7

About 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine (PubChem CID 6264610) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine
PubChem CID6264610
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1
InChIInChI=1S/C22H18N2O4S/c25-29(26,19-11-5-2-6-12-19)22-21(23-16-18-10-7-15-27-18)28-20(24-22)14-13-17-8-3-1-4-9-17/h1-15,23H,16H2/b14-13+
InChIKeyDNEWPNVGWSNACC-BUHFOSPRSA-N
XLogP4.88
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-(2-phenylethenyl)-1,3-oxazol-5-amine
CID 5079224
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824833
5-(furan-2-ylmethylamino)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 4750511
4-(benzenesulfonyl)-N-(2-methoxyethyl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazol-5-amine
CID 71965771
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 3792980
5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200614
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 5166148
3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019525
5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 98385823
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine (CID 6264610) is 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine?
The InChIKey is DNEWPNVGWSNACC-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H18N2O4S/c25-29(26,19-11-5-2-6-12-19)22-21(23-16-18-10-7-15-27-18)28-20(24-22)14-13-17-8-3-1-4-9-17/h1-15,23H,16H2/b14-13+.
What are the key properties of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine has a molecular weight of 406.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 6264610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).