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

C12H13N3O2 — CID 142590984

IUPAC2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccc(C3=NCCO3)n2)=N1
InChIInChI=1S/C12H13N3O2/c1-8-7-17-12(14-8)10-4-2-3-9(15-10)11-13-5-6-16-11/h2-4,8H,5-7H2,1H3
InChIKeyGYWPOFDCOSJHQJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.02
Rot. Bonds2

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

2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 142590984) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID142590984
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccc(C3=NCCO3)n2)=N1
InChIInChI=1S/C12H13N3O2/c1-8-7-17-12(14-8)10-4-2-3-9(15-10)11-13-5-6-16-11/h2-4,8H,5-7H2,1H3
InChIKeyGYWPOFDCOSJHQJ-UHFFFAOYSA-N
XLogP1.02
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 170920594
(4S)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676
neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 828047
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598
(4S)-2-[6-[4-(1-iodoethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 163574251
iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
CID 70014009
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
CID 102182088
(4R)-4-cyclohexyl-2-[6-[(4R)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 154728097
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286
(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729949

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 142590984) is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-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-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(c2cccc(C3=NCCO3)n2)=N1.
What is the InChIKey of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GYWPOFDCOSJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-17-12(14-8)10-4-2-3-9(15-10)11-13-5-6-16-11/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole?
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 231.25 g/mol, XLogP of 1.02, 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-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142590984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).