2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole

C17H21NO2 — CID 101079470

IUPAC2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC1=C[C@@H](c2ccccc2)[C@@H](C2=NC(C)(C)CO2)C1
InChIInChI=1S/C17H21NO2/c1-17(2)11-20-16(18-17)15-10-13(19-3)9-14(15)12-7-5-4-6-8-12/h4-9,14-15H,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyOOSGIMDTTTYQOO-GJZGRUSLSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds3

About 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101079470) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID101079470
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC1=C[C@@H](c2ccccc2)[C@@H](C2=NC(C)(C)CO2)C1
InChIInChI=1S/C17H21NO2/c1-17(2)11-20-16(18-17)15-10-13(19-3)9-14(15)12-7-5-4-6-8-12/h4-9,14-15H,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyOOSGIMDTTTYQOO-GJZGRUSLSA-N
XLogP3.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Related Compounds

2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 102276347
5-benzyl-3,6-diethoxy-5-propan-2-yl-2H-pyrazine
CID 134870168
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol
CID 134905112
2-[3-ethyl-3-(2-iodophenyl)pentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135059267
2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole
CID 135073471
2-[2-(2-iodophenyl)-2-methylpropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135075380

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 101079470) is 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole is COC1=C[C@@H](c2ccccc2)[C@@H](C2=NC(C)(C)CO2)C1.
What is the InChIKey of 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OOSGIMDTTTYQOO-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2)11-20-16(18-17)15-10-13(19-3)9-14(15)12-7-5-4-6-8-12/h4-9,14-15H,10-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-4-methoxy-2-phenylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).