3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C18H19N3O2S — CID 45239352

IUPAC3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(Cc1cc(C(=O)NCCc2cscn2)on1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13(14-5-3-2-4-6-14)9-16-10-17(23-21-16)18(22)19-8-7-15-11-24-12-20-15/h2-6,10-13H,7-9H2,1H3,(H,19,22)
InChIKeyBCDHNVUNERQGSW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.45
Rot. Bonds7

About 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 45239352) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID45239352
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(Cc1cc(C(=O)NCCc2cscn2)on1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13(14-5-3-2-4-6-14)9-16-10-17(23-21-16)18(22)19-8-7-15-11-24-12-20-15/h2-6,10-13H,7-9H2,1H3,(H,19,22)
InChIKeyBCDHNVUNERQGSW-UHFFFAOYSA-N
XLogP3.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 45239352) is 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is CC(Cc1cc(C(=O)NCCc2cscn2)on1)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BCDHNVUNERQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(14-5-3-2-4-6-14)9-16-10-17(23-21-16)18(22)19-8-7-15-11-24-12-20-15/h2-6,10-13H,7-9H2,1H3,(H,19,22).
What are the key properties of 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45239352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).