N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C15H10ClN3O3 — CID 17253018

IUPACN-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C15H10ClN3O3/c16-14-11(5-2-6-17-14)18-15(21)12-8-13(22-19-12)9-3-1-4-10(20)7-9/h1-8,20H,(H,18,21)
InChIKeyBQTSHFJKLFGPIO-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.35
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253018) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17253018
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2cccc(O)c2)on1
InChIInChI=1S/C15H10ClN3O3/c16-14-11(5-2-6-17-14)18-15(21)12-8-13(22-19-12)9-3-1-4-10(20)7-9/h1-8,20H,(H,18,21)
InChIKeyBQTSHFJKLFGPIO-UHFFFAOYSA-N
XLogP3.35
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 17253018) is N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2cccc(O)c2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BQTSHFJKLFGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-14-11(5-2-6-17-14)18-15(21)12-8-13(22-19-12)9-3-1-4-10(20)7-9/h1-8,20H,(H,18,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).