5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide

C18H17N3O2 — CID 6460006

IUPAC5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1ccncc1
InChIInChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)15-5-3-2-4-6-15)18(22)20-12-9-14-7-10-19-11-8-14/h2-8,10-11H,9,12H2,1H3,(H,20,22)
InChIKeyTVRAYZDKVKQHNY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

About 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 6460006) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID6460006
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1ccncc1
InChIInChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)15-5-3-2-4-6-15)18(22)20-12-9-14-7-10-19-11-8-14/h2-8,10-11H,9,12H2,1H3,(H,20,22)
InChIKeyTVRAYZDKVKQHNY-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide (CID 6460006) is 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccncc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is TVRAYZDKVKQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-16(17(21-23-13)15-5-3-2-4-6-15)18(22)20-12-9-14-7-10-19-11-8-14/h2-8,10-11H,9,12H2,1H3,(H,20,22).
What are the key properties of 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6460006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).