N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide

C16H13N3O3 — CID 90596022

IUPACN-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccn2)c1)c1ccno1
InChIInChI=1S/C16H13N3O3/c20-16(14-7-9-19-22-14)18-11-12-4-3-5-13(10-12)21-15-6-1-2-8-17-15/h1-10H,11H2,(H,18,20)
InChIKeyYXICOTQUGFOVPF-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.79
Rot. Bonds5

About N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide

N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 90596022) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID90596022
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccn2)c1)c1ccno1
InChIInChI=1S/C16H13N3O3/c20-16(14-7-9-19-22-14)18-11-12-4-3-5-13(10-12)21-15-6-1-2-8-17-15/h1-10H,11H2,(H,18,20)
InChIKeyYXICOTQUGFOVPF-UHFFFAOYSA-N
XLogP2.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91104503

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide (CID 90596022) is N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1cccc(Oc2ccccn2)c1)c1ccno1.
What is the InChIKey of N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YXICOTQUGFOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(14-7-9-19-22-14)18-11-12-4-3-5-13(10-12)21-15-6-1-2-8-17-15/h1-10H,11H2,(H,18,20).
What are the key properties of N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90596022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).