N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide

C16H19N3O2S — CID 75388529

IUPACN-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cccc(-c2ncco2)c1)N1CCSCC1
InChIInChI=1S/C16H19N3O2S/c1-12(19-6-9-22-10-7-19)15(20)18-14-4-2-3-13(11-14)16-17-5-8-21-16/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyDAWYFLKJURMXIB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.72
Rot. Bonds4

About N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide

N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 75388529) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID75388529
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cccc(-c2ncco2)c1)N1CCSCC1
InChIInChI=1S/C16H19N3O2S/c1-12(19-6-9-22-10-7-19)15(20)18-14-4-2-3-13(11-14)16-17-5-8-21-16/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyDAWYFLKJURMXIB-UHFFFAOYSA-N
XLogP2.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 122138158
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 97086301
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271
(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide
CID 97251269
N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
CID 97326645
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 86803982
1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 122159499
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylpropanamide
CID 110446322

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide (CID 75388529) is N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide is CC(C(=O)Nc1cccc(-c2ncco2)c1)N1CCSCC1.
What is the InChIKey of N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is DAWYFLKJURMXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12(19-6-9-22-10-7-19)15(20)18-14-4-2-3-13(11-14)16-17-5-8-21-16/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide?
N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 75388529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).