4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

C18H24N2O2 — CID 58810716

IUPAC4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(Cc2cccc(CC3=NC(CC)CO3)c2)=N1
InChIInChI=1S/C18H24N2O2/c1-3-15-11-21-17(19-15)9-13-6-5-7-14(8-13)10-18-20-16(4-2)12-22-18/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyJICFRKBSDRMTEV-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.19
Rot. Bonds6

About 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 58810716) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID58810716
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(Cc2cccc(CC3=NC(CC)CO3)c2)=N1
InChIInChI=1S/C18H24N2O2/c1-3-15-11-21-17(19-15)9-13-6-5-7-14(8-13)10-18-20-16(4-2)12-22-18/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyJICFRKBSDRMTEV-UHFFFAOYSA-N
XLogP3.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 58810716) is 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is CCC1COC(Cc2cccc(CC3=NC(CC)CO3)c2)=N1.
What is the InChIKey of 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JICFRKBSDRMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-15-11-21-17(19-15)9-13-6-5-7-14(8-13)10-18-20-16(4-2)12-22-18/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 300.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[3-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58810716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).