4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

C18H19N3O3S — CID 2531236

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c22-16(20-17-19-12-6-1-4-9-15(12)25-17)10-5-11-21-13-7-2-3-8-14(13)24-18(21)23/h2-3,7-8H,1,4-6,9-11H2,(H,19,20,22)
InChIKeyASAFLJSNXDJYMC-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.35
Rot. Bonds5

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide (PubChem CID 2531236) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
PubChem CID2531236
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c22-16(20-17-19-12-6-1-4-9-15(12)25-17)10-5-11-21-13-7-2-3-8-14(13)24-18(21)23/h2-3,7-8H,1,4-6,9-11H2,(H,19,20,22)
InChIKeyASAFLJSNXDJYMC-UHFFFAOYSA-N
XLogP3.35
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide 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-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide (CID 2531236) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is ASAFLJSNXDJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(20-17-19-12-6-1-4-9-15(12)25-17)10-5-11-21-13-7-2-3-8-14(13)24-18(21)23/h2-3,7-8H,1,4-6,9-11H2,(H,19,20,22).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 357.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 2531236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).