5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

C16H15N3O3S — CID 163093181

IUPAC5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2cccs2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C16H15N3O3S/c1-10(20)15-13(14(19-22-15)12-5-3-7-23-12)16(21)18-9-11-4-2-6-17-8-11/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyGZWADEHNKPVXPS-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.78
Rot. Bonds5

About 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 163093181) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID163093181
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2cccs2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C16H15N3O3S/c1-10(20)15-13(14(19-22-15)12-5-3-7-23-12)16(21)18-9-11-4-2-6-17-8-11/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyGZWADEHNKPVXPS-UHFFFAOYSA-N
XLogP2.78
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 100632211
5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 124876163
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162939070
5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162800357
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 163093181) is 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is CC(O)c1onc(-c2cccs2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GZWADEHNKPVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(20)15-13(14(19-22-15)12-5-3-7-23-12)16(21)18-9-11-4-2-6-17-8-11/h2-8,10,20H,9H2,1H3,(H,18,21).
What are the key properties of 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 163093181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).