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

C16H17NO2 — CID 11086329

IUPAC(4S)-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-CJNGLKHVSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds2

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

(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 11086329) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID11086329
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4S)-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-CJNGLKHVSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 11086329) is (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4S)-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 (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is PGZJTCFEIFNECJ-CJNGLKHVSA-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 (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4S)-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 (4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 11086329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).