3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide

C18H19N3O3S — CID 110222177

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
SMILESCOc1cc(CCC(=O)NC(Cc2ccsc2)c2ccccn2)on1
InChIInChI=1S/C18H19N3O3S/c1-23-18-11-14(24-21-18)5-6-17(22)20-16(10-13-7-9-25-12-13)15-4-2-3-8-19-15/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,20,22)
InChIKeySQZYQMKZZYATTK-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.17
Rot. Bonds8

About 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide

3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide (PubChem CID 110222177) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
PubChem CID110222177
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
SMILESCOc1cc(CCC(=O)NC(Cc2ccsc2)c2ccccn2)on1
InChIInChI=1S/C18H19N3O3S/c1-23-18-11-14(24-21-18)5-6-17(22)20-16(10-13-7-9-25-12-13)15-4-2-3-8-19-15/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,20,22)
InChIKeySQZYQMKZZYATTK-UHFFFAOYSA-N
XLogP3.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide (CID 110222177) is 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide is COc1cc(CCC(=O)NC(Cc2ccsc2)c2ccccn2)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide?
The InChIKey is SQZYQMKZZYATTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-18-11-14(24-21-18)5-6-17(22)20-16(10-13-7-9-25-12-13)15-4-2-3-8-19-15/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,20,22).
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide?
3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide has a molecular weight of 357.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 110222177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).