2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C18H19N3O3S — CID 131895180

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c1-11(17-20-12-6-2-5-9-15(12)25-17)19-16(22)10-21-13-7-3-4-8-14(13)24-18(21)23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22)
InChIKeyZFLRIBRXJROXMH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 131895180) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID131895180
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c1-11(17-20-12-6-2-5-9-15(12)25-17)19-16(22)10-21-13-7-3-4-8-14(13)24-18(21)23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22)
InChIKeyZFLRIBRXJROXMH-UHFFFAOYSA-N
XLogP2.81
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
4-oxo-4-phenyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 95318867
4-oxo-4-phenyl-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 95318866
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-2-(triazol-1-yl)acetamide
CID 118785667
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 4839889
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 131895180) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is CC(NC(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is ZFLRIBRXJROXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(17-20-12-6-2-5-9-15(12)25-17)19-16(22)10-21-13-7-3-4-8-14(13)24-18(21)23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 131895180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).