3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H15N3O3 — CID 2962267

IUPAC3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H15N3O3/c20-14-6-2-1-5-12(14)13-8-15(22-19-13)16(21)18-10-11-4-3-7-17-9-11/h1-7,9,15,20H,8,10H2,(H,18,21)
InChIKeyLRRGZNPEZTVXBR-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.60
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962267) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962267
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H15N3O3/c20-14-6-2-1-5-12(14)13-8-15(22-19-13)16(21)18-10-11-4-3-7-17-9-11/h1-7,9,15,20H,8,10H2,(H,18,21)
InChIKeyLRRGZNPEZTVXBR-UHFFFAOYSA-N
XLogP1.60
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-hydroxy-4-(5-hydroxypyridin-2-yl)cyclohexyl]-3-phenylpropanamide
CID 9819317
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095681
3-(2-Hydroxy-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid pyridin-3-ylamide
CID 2962266
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4879890
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9551504
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095648
3-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095857
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[(pyridin-3-yl)methyl]propanamide
CID 24538484
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245207
3-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158150
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3241025
3-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236235

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962267) is 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1cccnc1)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LRRGZNPEZTVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-6-2-1-5-12(14)13-8-15(22-19-13)16(21)18-10-11-4-3-7-17-9-11/h1-7,9,15,20H,8,10H2,(H,18,21).
What are the key properties of 3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.60, 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-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).