3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one

C12H16N2O2 — CID 177434201

IUPAC3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one
SMILESCC(C)C[C@H]1COC(c2ccc[nH]c2=O)=N1
InChIInChI=1S/C12H16N2O2/c1-8(2)6-9-7-16-12(14-9)10-4-3-5-13-11(10)15/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyMZSPYAOGGMYUTM-VIFPVBQESA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds3

About 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one

3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one (PubChem CID 177434201) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one
PubChem CID177434201
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one
SMILESCC(C)C[C@H]1COC(c2ccc[nH]c2=O)=N1
InChIInChI=1S/C12H16N2O2/c1-8(2)6-9-7-16-12(14-9)10-4-3-5-13-11(10)15/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyMZSPYAOGGMYUTM-VIFPVBQESA-N
XLogP1.57
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one (CID 177434201) is 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one is CC(C)C[C@H]1COC(c2ccc[nH]c2=O)=N1.
What is the InChIKey of 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one?
The InChIKey is MZSPYAOGGMYUTM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)6-9-7-16-12(14-9)10-4-3-5-13-11(10)15/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one?
3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177434201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).