3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole

C14H12N2O — CID 91578550

IUPAC3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1c1cccnc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-9-14(17-16-13)12-7-4-8-15-10-12/h1-10,14,16H
InChIKeyZWIQZMXDEDUJQX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.70
Rot. Bonds2

About 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole

3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole (PubChem CID 91578550) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole
PubChem CID91578550
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1c1cccnc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-9-14(17-16-13)12-7-4-8-15-10-12/h1-10,14,16H
InChIKeyZWIQZMXDEDUJQX-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
CID 57265822
formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate
CID 57050331
(5R)-3-methyl-5-phenyl-2,5-dihydro-1,2-oxazole
CID 123675513
(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91198422
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
3-[2-(4-phenylphenyl)cyclohexyl]pyridine
CID 175611155
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 90722641
4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine
CID 101116198
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
3-(3,5-diphenylphenyl)pyridine
CID 141411458

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole (CID 91578550) is 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole is C1=C(c2ccccc2)NOC1c1cccnc1.
What is the InChIKey of 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole?
The InChIKey is ZWIQZMXDEDUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-9-14(17-16-13)12-7-4-8-15-10-12/h1-10,14,16H.
What are the key properties of 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole?
3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91578550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).