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

C19H24N2O4 — CID 5271230

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCOc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C19H24N2O4/c1-14-12-16(25-21-14)6-4-3-5-10-23-17-8-7-15(13-18(17)22-2)19-20-9-11-24-19/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyLHTJIZZSEWUYJO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.56
Rot. Bonds9

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271230) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271230
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCOc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C19H24N2O4/c1-14-12-16(25-21-14)6-4-3-5-10-23-17-8-7-15(13-18(17)22-2)19-20-9-11-24-19/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyLHTJIZZSEWUYJO-UHFFFAOYSA-N
XLogP3.56
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271230) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole is COc1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is LHTJIZZSEWUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-12-16(25-21-14)6-4-3-5-10-23-17-8-7-15(13-18(17)22-2)19-20-9-11-24-19/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 344.41 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).