(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C15H12ClN3O2 — CID 124508168

IUPAC(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H12ClN3O2/c16-13-7-4-8-14(17-13)18-15(20)11-9-12(21-19-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18,20)/t12-/m1/s1
InChIKeyMBTHIRMAGYBQMV-GFCCVEGCSA-N
MW301.73 g/mol
LogP3.19
Rot. Bonds3

About (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 124508168) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID124508168
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H12ClN3O2/c16-13-7-4-8-14(17-13)18-15(20)11-9-12(21-19-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18,20)/t12-/m1/s1
InChIKeyMBTHIRMAGYBQMV-GFCCVEGCSA-N
XLogP3.19
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 124508168) is (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(Cl)n1)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is MBTHIRMAGYBQMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-13-7-4-8-14(17-13)18-15(20)11-9-12(21-19-11)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,17,18,20)/t12-/m1/s1.
What are the key properties of (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124508168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).