(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C15H21NO3 — CID 24823047

IUPAC(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(C)c(C2=N[C@@H](C(C)C)CO2)cc1OC
InChIInChI=1S/C15H21NO3/c1-9(2)12-8-19-15(16-12)11-7-14(18-5)13(17-4)6-10(11)3/h6-7,9,12H,8H2,1-5H3/t12-/m1/s1
InChIKeySQBYAQBHYNZEAU-GFCCVEGCSA-N
MW263.34 g/mol
LogP2.81
Rot. Bonds4

About (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 24823047) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID24823047
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1cc(C)c(C2=N[C@@H](C(C)C)CO2)cc1OC
InChIInChI=1S/C15H21NO3/c1-9(2)12-8-19-15(16-12)11-7-14(18-5)13(17-4)6-10(11)3/h6-7,9,12H,8H2,1-5H3/t12-/m1/s1
InChIKeySQBYAQBHYNZEAU-GFCCVEGCSA-N
XLogP2.81
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 24823047) is (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is COc1cc(C)c(C2=N[C@@H](C(C)C)CO2)cc1OC.
What is the InChIKey of (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is SQBYAQBHYNZEAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)12-8-19-15(16-12)11-7-14(18-5)13(17-4)6-10(11)3/h6-7,9,12H,8H2,1-5H3/t12-/m1/s1.
What are the key properties of (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4,5-dimethoxy-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24823047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).