5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C18H19N3O2 — CID 167979333

IUPAC5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(NC(=O)C2=NOC(c3ccccc3)C2)ccn1
InChIInChI=1S/C18H19N3O2/c1-12(2)15-10-14(8-9-19-15)20-18(22)16-11-17(23-21-16)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20,22)
InChIKeyGCXKGSRKYFUIHB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.66
Rot. Bonds4

About 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167979333) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167979333
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(NC(=O)C2=NOC(c3ccccc3)C2)ccn1
InChIInChI=1S/C18H19N3O2/c1-12(2)15-10-14(8-9-19-15)20-18(22)16-11-17(23-21-16)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20,22)
InChIKeyGCXKGSRKYFUIHB-UHFFFAOYSA-N
XLogP3.66
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167979333) is 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)c1cc(NC(=O)C2=NOC(c3ccccc3)C2)ccn1.
What is the InChIKey of 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is GCXKGSRKYFUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)15-10-14(8-9-19-15)20-18(22)16-11-17(23-21-16)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20,22).
What are the key properties of 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167979333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).