4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

C19H21N3O4S2 — CID 1244710

IUPAC4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C19H21N3O4S2/c23-28(24,15-5-2-1-3-6-15)19-18(20-8-9-22-10-12-25-13-11-22)26-17(21-19)16-7-4-14-27-16/h1-7,14,20H,8-13H2
InChIKeyHIZNSMOAVQAJFL-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.98
Rot. Bonds7

About 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 1244710) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID1244710
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C19H21N3O4S2/c23-28(24,15-5-2-1-3-6-15)19-18(20-8-9-22-10-12-25-13-11-22)26-17(21-19)16-7-4-14-27-16/h1-7,14,20H,8-13H2
InChIKeyHIZNSMOAVQAJFL-UHFFFAOYSA-N
XLogP2.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 1244710) is 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is HIZNSMOAVQAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c23-28(24,15-5-2-1-3-6-15)19-18(20-8-9-22-10-12-25-13-11-22)26-17(21-19)16-7-4-14-27-16/h1-7,14,20H,8-13H2.
What are the key properties of 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 419.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 1244710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).