[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C18H19N3O2 — CID 92884168

IUPAC[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H19N3O2/c1-13(2)19-17-10-6-7-11-21(17)18(22)16-12-15(20-23-16)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/b19-17+/t16-/m1/s1
InChIKeyFDPAPQCBIGDZSO-GWOGKKTRSA-N
MW309.37 g/mol
LogP2.63
Rot. Bonds3

About [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 92884168) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID92884168
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H19N3O2/c1-13(2)19-17-10-6-7-11-21(17)18(22)16-12-15(20-23-16)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/b19-17+/t16-/m1/s1
InChIKeyFDPAPQCBIGDZSO-GWOGKKTRSA-N
XLogP2.63
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 92884168) is [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is FDPAPQCBIGDZSO-GWOGKKTRSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)19-17-10-6-7-11-21(17)18(22)16-12-15(20-23-16)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/b19-17+/t16-/m1/s1.
What are the key properties of [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 92884168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).