(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

C12H16N2O — CID 101039596

IUPAC(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyJDOAIDZRVWJBEG-JTQLQIEISA-N
MW204.27 g/mol
LogP2.27
Rot. Bonds1

About (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 101039596) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID101039596
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyJDOAIDZRVWJBEG-JTQLQIEISA-N
XLogP2.27
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729949
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
(4S)-4-tert-butyl-2-(3-chloro-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 164673463
(4S)-4-tert-butyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
CID 71474923
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15447611
(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
(4S)-4-tert-butyl-2-imidazo[1,2-a]pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 165389534
(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 175202184
2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 75230461
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 101039596) is (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2ccccn2)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is JDOAIDZRVWJBEG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 204.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101039596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).