N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine

C23H23FN2O5S — CID 16649797

IUPACN-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NC1CCCCC1
InChIInChI=1S/C23H23FN2O5S/c24-16-8-6-15(7-9-16)21-26-23(22(31-21)25-17-4-2-1-3-5-17)32(27,28)18-10-11-19-20(14-18)30-13-12-29-19/h6-11,14,17,25H,1-5,12-13H2
InChIKeyDTNHTPNOZZEACQ-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.83
Rot. Bonds5

About N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine

N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 16649797) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID16649797
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NC1CCCCC1
InChIInChI=1S/C23H23FN2O5S/c24-16-8-6-15(7-9-16)21-26-23(22(31-21)25-17-4-2-1-3-5-17)32(27,28)18-10-11-19-20(14-18)30-13-12-29-19/h6-11,14,17,25H,1-5,12-13H2
InChIKeyDTNHTPNOZZEACQ-UHFFFAOYSA-N
XLogP4.83
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16649683
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 16649782
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 4825655
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 16649902
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16649809
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
CID 4704846
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
CID 16649583
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16650166
4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827163
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16649810

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine (CID 16649797) is N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is DTNHTPNOZZEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c24-16-8-6-15(7-9-16)21-26-23(22(31-21)25-17-4-2-1-3-5-17)32(27,28)18-10-11-19-20(14-18)30-13-12-29-19/h6-11,14,17,25H,1-5,12-13H2.
What are the key properties of N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 458.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16649797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).