4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine

C22H25N3O4S — CID 1244626

IUPAC4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17-7-9-19(10-8-17)30(26,27)22-21(23-11-12-25-13-15-28-16-14-25)29-20(24-22)18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3
InChIKeyOLKHAAFXCMCSDI-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.23
Rot. Bonds7

About 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine

4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine (PubChem CID 1244626) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
PubChem CID1244626
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17-7-9-19(10-8-17)30(26,27)22-21(23-11-12-25-13-15-28-16-14-25)29-20(24-22)18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3
InChIKeyOLKHAAFXCMCSDI-UHFFFAOYSA-N
XLogP3.23
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine (CID 1244626) is 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is OLKHAAFXCMCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-17-7-9-19(10-8-17)30(26,27)22-21(23-11-12-25-13-15-28-16-14-25)29-20(24-22)18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine?
4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 427.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 1244626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).