2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole

C21H32N2O2 — CID 143100330

IUPAC2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC=N1.CCc1ccc(CC2=NC(C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO.C6H11NO/c1-4-12-5-7-13(8-6-12)9-15-16-14(10-17-15)11(2)3;1-5(2)6-3-8-4-7-6/h5-8,11,14H,4,9-10H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyYFDKJFWMWMXIOF-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.31
Rot. Bonds5

About 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 143100330) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID143100330
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC=N1.CCc1ccc(CC2=NC(C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO.C6H11NO/c1-4-12-5-7-13(8-6-12)9-15-16-14(10-17-15)11(2)3;1-5(2)6-3-8-4-7-6/h5-8,11,14H,4,9-10H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyYFDKJFWMWMXIOF-UHFFFAOYSA-N
XLogP4.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 143100330) is 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC=N1.CCc1ccc(CC2=NC(C(C)C)CO2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YFDKJFWMWMXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C6H11NO/c1-4-12-5-7-13(8-6-12)9-15-16-14(10-17-15)11(2)3;1-5(2)6-3-8-4-7-6/h5-8,11,14H,4,9-10H2,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 344.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 143100330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).