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

C17H13N3O3S — CID 3163776

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h1-8H,9-10H2,(H,18,19,21)
InChIKeyDDMCVMVJRNCGGY-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.23
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163776) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163776
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h1-8H,9-10H2,(H,18,19,21)
InChIKeyDDMCVMVJRNCGGY-UHFFFAOYSA-N
XLogP3.23
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163776) is N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is DDMCVMVJRNCGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15(19-16-18-11-5-1-4-8-14(11)24-16)9-10-20-12-6-2-3-7-13(12)23-17(20)22/h1-8H,9-10H2,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 339.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).