3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide

C17H18N2O3S — CID 110683424

IUPAC3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCn1c(=O)oc2ccc(CCC(=O)NCCc3cccs3)cc21
InChIInChI=1S/C17H18N2O3S/c1-19-14-11-12(4-6-15(14)22-17(19)21)5-7-16(20)18-9-8-13-3-2-10-23-13/h2-4,6,10-11H,5,7-9H2,1H3,(H,18,20)
InChIKeyDSGVVGOSYZAALX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.48
Rot. Bonds6

About 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide

3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 110683424) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID110683424
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCn1c(=O)oc2ccc(CCC(=O)NCCc3cccs3)cc21
InChIInChI=1S/C17H18N2O3S/c1-19-14-11-12(4-6-15(14)22-17(19)21)5-7-16(20)18-9-8-13-3-2-10-23-13/h2-4,6,10-11H,5,7-9H2,1H3,(H,18,20)
InChIKeyDSGVVGOSYZAALX-UHFFFAOYSA-N
XLogP2.48
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
1-amino-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]urea
CID 115192957
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8964923
N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683389
3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683403
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-phenylurea
CID 110776299
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
CID 110683465

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 110683424) is 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide is Cn1c(=O)oc2ccc(CCC(=O)NCCc3cccs3)cc21.
What is the InChIKey of 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is DSGVVGOSYZAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-19-14-11-12(4-6-15(14)22-17(19)21)5-7-16(20)18-9-8-13-3-2-10-23-13/h2-4,6,10-11H,5,7-9H2,1H3,(H,18,20).
What are the key properties of 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 110683424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).