3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole

C16H21N3O4 — CID 91204406

IUPAC3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESC=CC(=O)OCCCOC.Cc1cc(-c2noc(C)n2)ccn1
InChIInChI=1S/C9H9N3O.C7H12O3/c1-6-5-8(3-4-10-6)9-11-7(2)13-12-9;1-3-7(8)10-6-4-5-9-2/h3-5H,1-2H3;3H,1,4-6H2,2H3
InChIKeyGCNCHEMDOOSMBM-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.50
Rot. Bonds6

About 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole

3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 91204406) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID91204406
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESC=CC(=O)OCCCOC.Cc1cc(-c2noc(C)n2)ccn1
InChIInChI=1S/C9H9N3O.C7H12O3/c1-6-5-8(3-4-10-6)9-11-7(2)13-12-9;1-3-7(8)10-6-4-5-9-2/h3-5H,1-2H3;3H,1,4-6H2,2H3
InChIKeyGCNCHEMDOOSMBM-UHFFFAOYSA-N
XLogP2.50
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.50
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'}

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Launch Full Analysis

Related Compounds

4-methoxybutyl prop-2-enoate;5-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 91560484
3-(3-fluoro-4-methylphenyl)-5-methyl-1,2,4-oxadiazole;6-methoxyhexyl prop-2-enoate
CID 91208233
6-methoxyhexyl prop-2-enoate;3-methyl-5-(4-methylphenyl)-1,2-oxazole
CID 91122695
3-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-oxadiazole;4-methoxybutan-2-yl prop-2-enoate
CID 91006809
2-methoxyethyl prop-2-enoate;(5-methyl-1,2,4-oxadiazol-3-yl) 4-methylbenzoate
CID 90870187
4-methoxybutyl prop-2-enoate
CID 22321356
4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole
CID 91101641
2-methoxyethyl prop-2-enoate;[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 90943875
6-[2-fluoro-4-[5-[3-[3-[3-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-[3-[3-fluoro-4-(5-prop-2-enoyloxypentoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]hexyl prop-2-enoate
CID 45280248
4-[3-[3-[5-[3-[3-[3-[5-(4-prop-2-enoyloxybutyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]butyl prop-2-enoate
CID 59491853
4-[4-(5-acetyloxy-1,2,4-oxadiazol-3-yl)phenoxy]butyl prop-2-enoate
CID 59775522
3-[2-[1-(3-methoxypropyl)pyrazolo[4,3-b]pyridin-3-yl]-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 167542563

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 91204406) is 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole is C=CC(=O)OCCCOC.Cc1cc(-c2noc(C)n2)ccn1.
What is the InChIKey of 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GCNCHEMDOOSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C7H12O3/c1-6-5-8(3-4-10-6)9-11-7(2)13-12-9;1-3-7(8)10-6-4-5-9-2/h3-5H,1-2H3;3H,1,4-6H2,2H3.
What are the key properties of 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole?
3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91204406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).