4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole

C19H25NO4 — CID 91101641

IUPAC4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole
SMILESC=CC(=O)OCCCCOC.Cc1cccc(-c2cnc(C)o2)c1
InChIInChI=1S/C11H11NO.C8H14O3/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11;1-3-8(9)11-7-5-4-6-10-2/h3-7H,1-2H3;3H,1,4-7H2,2H3
InChIKeyMPJVEQZEOJBRTR-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.10
Rot. Bonds7

About 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole

4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole (PubChem CID 91101641) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole
PubChem CID91101641
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole
SMILESC=CC(=O)OCCCCOC.Cc1cccc(-c2cnc(C)o2)c1
InChIInChI=1S/C11H11NO.C8H14O3/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11;1-3-8(9)11-7-5-4-6-10-2/h3-7H,1-2H3;3H,1,4-7H2,2H3
InChIKeyMPJVEQZEOJBRTR-UHFFFAOYSA-N
XLogP4.10
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan
CID 90734557
4-methoxybutyl prop-2-enoate;5-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 91560484
6-methoxyhexyl prop-2-enoate;3-methyl-5-(4-methylphenyl)-1,2-oxazole
CID 91122695
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
4-methoxybutyl prop-2-enoate
CID 22321356
3-methoxypropyl prop-2-enoate;5-methyl-3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 91204406
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
3-(3-fluoro-4-methylphenyl)-5-methyl-1,2,4-oxadiazole;6-methoxyhexyl prop-2-enoate
CID 91208233
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
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
2-methoxyethyl prop-2-enoate;1-methoxyhexane;2-methyl-5-[2-(4-methylphenyl)ethynyl]-1,3,4-oxadiazole
CID 91179580

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole (CID 91101641) is 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole is C=CC(=O)OCCCCOC.Cc1cccc(-c2cnc(C)o2)c1.
What is the InChIKey of 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole?
The InChIKey is MPJVEQZEOJBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C8H14O3/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11;1-3-8(9)11-7-5-4-6-10-2/h3-7H,1-2H3;3H,1,4-7H2,2H3.
What are the key properties of 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole?
4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole has a molecular weight of 331.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 91101641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).