(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one

C16H17NO2 — CID 12840012

IUPAC(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H17NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2,4-6,8-10,13H,3,7,11H2,1H3/t13-,16-/m1/s1
InChIKeyPGZJTCFEIFNECJ-CZUORRHYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds2

About (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one

(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 12840012) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID12840012
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC[C@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H17NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2,4-6,8-10,13H,3,7,11H2,1H3/t13-,16-/m1/s1
InChIKeyPGZJTCFEIFNECJ-CZUORRHYSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504604
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
Methyl 4-methyl-2-[[2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazol-5-ylidene]amino]-2-(trifluoromethyl)pentanoate
CID 11225628

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 12840012) is (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one is C[C@]1([C@@H]2C=CCCC2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is PGZJTCFEIFNECJ-CZUORRHYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2,4-6,8-10,13H,3,7,11H2,1H3/t13-,16-/m1/s1.
What are the key properties of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 255.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 12840012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).