1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine

C19H26N2O3 — CID 87905239

IUPAC1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine
SMILESCCCON=Cc1cc(C)c(OCCCc2cc(C)no2)c(C)c1
InChIInChI=1S/C19H26N2O3/c1-5-8-23-20-13-17-10-14(2)19(15(3)11-17)22-9-6-7-18-12-16(4)21-24-18/h10-13H,5-9H2,1-4H3
InChIKeyAVOHHUKRCVTVDZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.37
Rot. Bonds9

About 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine

1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine (PubChem CID 87905239) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine
PubChem CID87905239
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine
SMILESCCCON=Cc1cc(C)c(OCCCc2cc(C)no2)c(C)c1
InChIInChI=1S/C19H26N2O3/c1-5-8-23-20-13-17-10-14(2)19(15(3)11-17)22-9-6-7-18-12-16(4)21-24-18/h10-13H,5-9H2,1-4H3
InChIKeyAVOHHUKRCVTVDZ-UHFFFAOYSA-N
XLogP4.37
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine?
The IUPAC name of 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine (CID 87905239) is 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine?
The canonical SMILES for 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine is CCCON=Cc1cc(C)c(OCCCc2cc(C)no2)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine?
The InChIKey is AVOHHUKRCVTVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-8-23-20-13-17-10-14(2)19(15(3)11-17)22-9-6-7-18-12-16(4)21-24-18/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine?
1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine has a molecular weight of 330.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine is sourced from PubChem (CID 87905239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).