[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine

C25H24N2O4S — CID 70164941

IUPAC[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4S/c1-3-30-21-16-10-9-15-20(21)22(26)23-25(32(28,29)18-12-5-4-6-13-18)27-24(31-23)19-14-8-7-11-17(19)2/h4-16,22H,3,26H2,1-2H3
InChIKeyMJLNCSFGASGHOE-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.93
Rot. Bonds7

About [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine

[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine (PubChem CID 70164941) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine
PubChem CID70164941
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4S/c1-3-30-21-16-10-9-15-20(21)22(26)23-25(32(28,29)18-12-5-4-6-13-18)27-24(31-23)19-14-8-7-11-17(19)2/h4-16,22H,3,26H2,1-2H3
InChIKeyMJLNCSFGASGHOE-UHFFFAOYSA-N
XLogP4.93
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine?
The IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine (CID 70164941) is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine?
The canonical SMILES for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine?
The InChIKey is MJLNCSFGASGHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-3-30-21-16-10-9-15-20(21)22(26)23-25(32(28,29)18-12-5-4-6-13-18)27-24(31-23)19-14-8-7-11-17(19)2/h4-16,22H,3,26H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine?
[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine has a molecular weight of 448.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 70164941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).