(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole

C12H13NO — CID 102129580

IUPAC(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
SMILESC=C(C)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C12H13NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1
InChIKeyZPCIVXKXYBGAEK-LLVKDONJSA-N
MW187.24 g/mol
LogP2.73
Rot. Bonds2

About (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 102129580) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID102129580
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
SMILESC=C(C)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C12H13NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1
InChIKeyZPCIVXKXYBGAEK-LLVKDONJSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole (CID 102129580) is (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole is C=C(C)C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZPCIVXKXYBGAEK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102129580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).