2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol

C12H15NO2 — CID 135399781

IUPAC2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESCC(C)[C@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C12H15NO2/c1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyNHCHOCDSGYNNIS-SNVBAGLBSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds2

About 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol

2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol (PubChem CID 135399781) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol
PubChem CID135399781
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESCC(C)[C@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C12H15NO2/c1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyNHCHOCDSGYNNIS-SNVBAGLBSA-N
XLogP2.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The IUPAC name of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol (CID 135399781) is 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol is CC(C)[C@H]1COC(c2ccccc2O)=N1.
What is the InChIKey of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The InChIKey is NHCHOCDSGYNNIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol has a molecular weight of 205.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 135399781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).