4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

C23H34N2O2 — CID 58810718

IUPAC4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCCC1COC(Cc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1
InChIInChI=1S/C23H34N2O2/c1-6-8-18-13-26-22(24-18)11-20-15(3)10-16(4)21(17(20)5)12-23-25-19(9-7-2)14-27-23/h10,18-19H,6-9,11-14H2,1-5H3
InChIKeyCXWYPKLLDPSZLR-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.89
Rot. Bonds8

About 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 58810718) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID58810718
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCCC1COC(Cc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1
InChIInChI=1S/C23H34N2O2/c1-6-8-18-13-26-22(24-18)11-20-15(3)10-16(4)21(17(20)5)12-23-25-19(9-7-2)14-27-23/h10,18-19H,6-9,11-14H2,1-5H3
InChIKeyCXWYPKLLDPSZLR-UHFFFAOYSA-N
XLogP4.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 58810718) is 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is CCCC1COC(Cc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1.
What is the InChIKey of 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CXWYPKLLDPSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-6-8-18-13-26-22(24-18)11-20-15(3)10-16(4)21(17(20)5)12-23-25-19(9-7-2)14-27-23/h10,18-19H,6-9,11-14H2,1-5H3.
What are the key properties of 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 370.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58810718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).