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

C16H12ClN3O2 — CID 700866

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-3-2-4-6-11)16(21)19-13-8-7-12(17)9-18-13/h2-9H,1H3,(H,18,19,21)
InChIKeyGDDADUDOVMQGKQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 700866) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID700866
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-3-2-4-6-11)16(21)19-13-8-7-12(17)9-18-13/h2-9H,1H3,(H,18,19,21)
InChIKeyGDDADUDOVMQGKQ-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 700866) is N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GDDADUDOVMQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-3-2-4-6-11)16(21)19-13-8-7-12(17)9-18-13/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 700866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).