2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C11H11N3O2 — CID 5242420

IUPAC2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)nc(C2=NCCO2)c1
InChIInChI=1S/C11H11N3O2/c1-2-8(10-12-4-6-15-10)14-9(3-1)11-13-5-7-16-11/h1-3H,4-7H2
InChIKeyYOCRKHKJFCWTHG-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.64
Rot. Bonds2

About 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5242420) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID5242420
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)nc(C2=NCCO2)c1
InChIInChI=1S/C11H11N3O2/c1-2-8(10-12-4-6-15-10)14-9(3-1)11-13-5-7-16-11/h1-3H,4-7H2
InChIKeyYOCRKHKJFCWTHG-UHFFFAOYSA-N
XLogP0.64
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyridinolcarbamate
CID 4990
2-Pyridinemethanol, 2-acetate
CID 13881
(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688213
6-Methyl-2-pyridylmethanol
CID 70736
2,6-Pyridinedimethanol
CID 70957
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688211
Methyl Picolinimidate
CID 152260
2,6-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 343127
2,6-Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine
CID 500120
2-(2-Methyl-1,3-dioxolan-2-yl)pyridine
CID 324521
2-(Methoxymethyl)pyridine
CID 253220
(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 2734679

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 5242420) is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1cc(C2=NCCO2)nc(C2=NCCO2)c1.
What is the InChIKey of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YOCRKHKJFCWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-8(10-12-4-6-15-10)14-9(3-1)11-13-5-7-16-11/h1-3H,4-7H2.
What are the key properties of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 217.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5242420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).