2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole

C25H36N2O5 — CID 91179580

IUPAC2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole
SMILESC=CC(=O)OCCOC.CCCCCCOC.Cc1ccc(C#Cc2nnc(C)o2)cc1
InChIInChI=1S/C12H10N2O.C7H16O.C6H10O3/c1-9-3-5-11(6-4-9)7-8-12-14-13-10(2)15-12;1-3-4-5-6-7-8-2;1-3-6(7)9-5-4-8-2/h3-6H,1-2H3;3-7H2,1-2H3;3H,1,4-5H2,2H3
InChIKeyZHFQQRRZXLUITC-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.66
Rot. Bonds9

About 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole

2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole (PubChem CID 91179580) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole
PubChem CID91179580
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole
SMILESC=CC(=O)OCCOC.CCCCCCOC.Cc1ccc(C#Cc2nnc(C)o2)cc1
InChIInChI=1S/C12H10N2O.C7H16O.C6H10O3/c1-9-3-5-11(6-4-9)7-8-12-14-13-10(2)15-12;1-3-4-5-6-7-8-2;1-3-6(7)9-5-4-8-2/h3-6H,1-2H3;3-7H2,1-2H3;3H,1,4-5H2,2H3
InChIKeyZHFQQRRZXLUITC-UHFFFAOYSA-N
XLogP4.66
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methoxyethyl prop-2-enoate);bis(1-methoxyhexane);2-(4-methylphenyl)-5-(4-prop-1-ynylphenyl)furan;2-(4-methylphenyl)-5-(4-prop-1-ynylphenyl)thiophene
CID 91495929
2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-(4-methylphenyl)-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 91561589
5-(4-methylphenyl)pent-4-ynyl prop-2-enoate
CID 18736504
azane;octyl prop-2-enoate
CID 175482602
6-methoxyhexyl prop-2-enoate;3-methyl-5-(4-methylphenyl)-1,2-oxazole
CID 91122695
methane;bis(5-(4-methylphenyl)pent-4-ynyl prop-2-enoate)
CID 160958044
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole (CID 91179580) is 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole is C=CC(=O)OCCOC.CCCCCCOC.Cc1ccc(C#Cc2nnc(C)o2)cc1.
What is the InChIKey of 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole?
The InChIKey is ZHFQQRRZXLUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.C7H16O.C6H10O3/c1-9-3-5-11(6-4-9)7-8-12-14-13-10(2)15-12;1-3-4-5-6-7-8-2;1-3-6(7)9-5-4-8-2/h3-6H,1-2H3;3-7H2,1-2H3;3H,1,4-5H2,2H3.
What are the key properties of 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole?
2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole has a molecular weight of 444.57 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91179580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).