(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

C12H16N2O — CID 10976589

IUPAC(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C12H16N2O/c1-9(2)7-10-8-15-12(14-10)11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyMFEIEQDUFOSLGN-JTQLQIEISA-N
MW204.27 g/mol
LogP2.27
Rot. Bonds3

About (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10976589) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10976589
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C12H16N2O/c1-9(2)7-10-8-15-12(14-10)11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyMFEIEQDUFOSLGN-JTQLQIEISA-N
XLogP2.27
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 10976589) is (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C[C@H]1COC(c2ccccn2)=N1.
What is the InChIKey of (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is MFEIEQDUFOSLGN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)7-10-8-15-12(14-10)11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 204.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10976589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).