3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

C18H23N3O3S — CID 155569282

IUPAC3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCSc1nc2cc(N3CCOCC3)ccc2o1)N1CCCC1
InChIInChI=1S/C18H23N3O3S/c22-17(21-6-1-2-7-21)5-12-25-18-19-15-13-14(3-4-16(15)24-18)20-8-10-23-11-9-20/h3-4,13H,1-2,5-12H2
InChIKeyCXFUJCLJDDFZMD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.77
Rot. Bonds5

About 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 155569282) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID155569282
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCSc1nc2cc(N3CCOCC3)ccc2o1)N1CCCC1
InChIInChI=1S/C18H23N3O3S/c22-17(21-6-1-2-7-21)5-12-25-18-19-15-13-14(3-4-16(15)24-18)20-8-10-23-11-9-20/h3-4,13H,1-2,5-12H2
InChIKeyCXFUJCLJDDFZMD-UHFFFAOYSA-N
XLogP2.77
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one 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 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one (CID 155569282) is 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCSc1nc2cc(N3CCOCC3)ccc2o1)N1CCCC1.
What is the InChIKey of 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CXFUJCLJDDFZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-17(21-6-1-2-7-21)5-12-25-18-19-15-13-14(3-4-16(15)24-18)20-8-10-23-11-9-20/h3-4,13H,1-2,5-12H2.
What are the key properties of 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 361.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-morpholin-4-yl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 155569282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).