3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C13H11N3O3S — CID 3243649

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(15-12-14-6-8-20-12)5-7-16-9-3-1-2-4-10(9)19-13(16)18/h1-4,6,8H,5,7H2,(H,14,15,17)
InChIKeyHEHVFBBCLFIVLE-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.08
Rot. Bonds4

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3243649) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3243649
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(15-12-14-6-8-20-12)5-7-16-9-3-1-2-4-10(9)19-13(16)18/h1-4,6,8H,5,7H2,(H,14,15,17)
InChIKeyHEHVFBBCLFIVLE-UHFFFAOYSA-N
XLogP2.08
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 3243649) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1nccs1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HEHVFBBCLFIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(15-12-14-6-8-20-12)5-7-16-9-3-1-2-4-10(9)19-13(16)18/h1-4,6,8H,5,7H2,(H,14,15,17).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 289.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3243649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).