N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C15H10ClN3O3 — CID 135693609

IUPACN-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H10ClN3O3/c16-14-11(2-1-7-17-14)18-15(21)12-8-13(22-19-12)9-3-5-10(20)6-4-9/h1-8,20H,(H,18,21)
InChIKeyRXMZKLOQRXKFQT-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.35
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 135693609) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID135693609
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H10ClN3O3/c16-14-11(2-1-7-17-14)18-15(21)12-8-13(22-19-12)9-3-5-10(20)6-4-9/h1-8,20H,(H,18,21)
InChIKeyRXMZKLOQRXKFQT-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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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
2-[5-[(5-Methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
CID 135567038
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 1093818
N-pyridin-3-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242844
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
5-(4-bromophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 5307167

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 135693609) is N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2ccc(O)cc2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RXMZKLOQRXKFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-14-11(2-1-7-17-14)18-15(21)12-8-13(22-19-12)9-3-5-10(20)6-4-9/h1-8,20H,(H,18,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(4-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-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135693609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).