3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide

C16H16N2O3S — CID 27990293

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1
InChIInChI=1S/C16H16N2O3S/c1-11(14-7-4-10-22-14)17-15(19)8-9-18-12-5-2-3-6-13(12)21-16(18)20/h2-7,10-11H,8-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyGRYUVSQKMIAECT-LLVKDONJSA-N
MW316.38 g/mol
LogP2.92
Rot. Bonds5

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide (PubChem CID 27990293) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
PubChem CID27990293
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1
InChIInChI=1S/C16H16N2O3S/c1-11(14-7-4-10-22-14)17-15(19)8-9-18-12-5-2-3-6-13(12)21-16(18)20/h2-7,10-11H,8-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyGRYUVSQKMIAECT-LLVKDONJSA-N
XLogP2.92
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195731
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide (CID 27990293) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide is C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1cccs1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is GRYUVSQKMIAECT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11(14-7-4-10-22-14)17-15(19)8-9-18-12-5-2-3-6-13(12)21-16(18)20/h2-7,10-11H,8-9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 27990293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).