3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

C16H13N3O3 — CID 135506190

IUPAC3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C16H13N3O3/c20-14-7-2-1-6-12(14)13-9-15(22-19-13)16(21)18-10-11-5-3-4-8-17-11/h1-9,20H,10H2,(H,18,21)
InChIKeySCQRQHRWVOFSKZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.37
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 135506190) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID135506190
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C16H13N3O3/c20-14-7-2-1-6-12(14)13-9-15(22-19-13)16(21)18-10-11-5-3-4-8-17-11/h1-9,20H,10H2,(H,18,21)
InChIKeySCQRQHRWVOFSKZ-UHFFFAOYSA-N
XLogP2.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 135506190) is 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccccc2O)no1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SCQRQHRWVOFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14-7-2-1-6-12(14)13-9-15(22-19-13)16(21)18-10-11-5-3-4-8-17-11/h1-9,20H,10H2,(H,18,21).
What are the key properties of 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).