4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine

C18H18N2O4S — CID 18826955

IUPAC4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-3-19-17-18(25(21,22)15-7-5-4-6-8-15)20-16(24-17)13-9-11-14(23-2)12-10-13/h4-12,19H,3H2,1-2H3
InChIKeyINLBQMKMGHLHLT-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.61
Rot. Bonds6

About 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826955) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826955
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-3-19-17-18(25(21,22)15-7-5-4-6-8-15)20-16(24-17)13-9-11-14(23-2)12-10-13/h4-12,19H,3H2,1-2H3
InChIKeyINLBQMKMGHLHLT-UHFFFAOYSA-N
XLogP3.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine (CID 18826955) is 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine is CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is INLBQMKMGHLHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-19-17-18(25(21,22)15-7-5-4-6-8-15)20-16(24-17)13-9-11-14(23-2)12-10-13/h4-12,19H,3H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 358.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).