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

C16H15N3O3S — CID 24791024

IUPAC5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(COc2ccccc2)on1)c1nccs1
InChIInChI=1S/C16H15N3O3S/c1-11(16-17-7-8-23-16)18-15(20)14-9-13(22-19-14)10-21-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyDRTIETPYHYPBQB-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.20
Rot. Bonds6

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

5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791024) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24791024
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(COc2ccccc2)on1)c1nccs1
InChIInChI=1S/C16H15N3O3S/c1-11(16-17-7-8-23-16)18-15(20)14-9-13(22-19-14)10-21-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyDRTIETPYHYPBQB-UHFFFAOYSA-N
XLogP3.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24791024) is 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(COc2ccccc2)on1)c1nccs1.
What is the InChIKey of 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DRTIETPYHYPBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-11(16-17-7-8-23-16)18-15(20)14-9-13(22-19-14)10-21-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).