4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine

C23H26N2O4S — CID 18826075

IUPAC4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C23H26N2O4S/c1-2-28-19-15-13-17(14-16-19)21-25-23(30(26,27)20-11-7-4-8-12-20)22(29-21)24-18-9-5-3-6-10-18/h4,7-8,11-16,18,24H,2-3,5-6,9-10H2,1H3
InChIKeyQAFUOKYHMWOOOH-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.32
Rot. Bonds7

About 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826075) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826075
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C23H26N2O4S/c1-2-28-19-15-13-17(14-16-19)21-25-23(30(26,27)20-11-7-4-8-12-20)22(29-21)24-18-9-5-3-6-10-18/h4,7-8,11-16,18,24H,2-3,5-6,9-10H2,1H3
InChIKeyQAFUOKYHMWOOOH-UHFFFAOYSA-N
XLogP5.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827163
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 4825655
4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826076
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267201
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
CID 4704846
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16649683
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
CID 18826525
N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 16812306

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine (CID 18826075) is 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NC3CCCCC3)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is QAFUOKYHMWOOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-28-19-15-13-17(14-16-19)21-25-23(30(26,27)20-11-7-4-8-12-20)22(29-21)24-18-9-5-3-6-10-18/h4,7-8,11-16,18,24H,2-3,5-6,9-10H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 426.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).