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

C18H15FN2O5S — CID 16650322

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15FN2O5S/c1-20-17-18(21-16(26-17)12-4-2-3-5-13(12)19)27(22,23)11-6-7-14-15(10-11)25-9-8-24-14/h2-7,10,20H,8-9H2,1H3
InChIKeyCCBRETMVRCPMMJ-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.13
Rot. Bonds4

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine (PubChem CID 16650322) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
PubChem CID16650322
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15FN2O5S/c1-20-17-18(21-16(26-17)12-4-2-3-5-13(12)19)27(22,23)11-6-7-14-15(10-11)25-9-8-24-14/h2-7,10,20H,8-9H2,1H3
InChIKeyCCBRETMVRCPMMJ-UHFFFAOYSA-N
XLogP3.13
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
CID 16650344
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16649809
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3,4-dimethoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650151
N-[2-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 16650298
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16650417
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649923
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826754
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
CID 16649583
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826825
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine (CID 16650322) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine is CNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine?
The InChIKey is CCBRETMVRCPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-20-17-18(21-16(26-17)12-4-2-3-5-13(12)19)27(22,23)11-6-7-14-15(10-11)25-9-8-24-14/h2-7,10,20H,8-9H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine has a molecular weight of 390.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 16650322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).