2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid

C15H24N2O3 — CID 156545682

IUPAC2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid
SMILESC=C(Cc1nc(CCCCCCCCC)no1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-10-13-16-14(20-17-13)11-12(2)15(18)19/h2-11H2,1H3,(H,18,19)
InChIKeyGDVQXNIGPNNLRD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.55
Rot. Bonds11

About 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid

2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid (PubChem CID 156545682) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid
PubChem CID156545682
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid
SMILESC=C(Cc1nc(CCCCCCCCC)no1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-10-13-16-14(20-17-13)11-12(2)15(18)19/h2-11H2,1H3,(H,18,19)
InChIKeyGDVQXNIGPNNLRD-UHFFFAOYSA-N
XLogP3.55
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
tert-butyl 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoate
CID 156537752
2-[[3-(7,7,8,8,8-pentafluorooctyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 156545621
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-one
CID 79412961
2-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 156537841
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
tert-butyl 2-[(3-oct-3-ynyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoate
CID 156800055
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid (CID 156545682) is 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid is C=C(Cc1nc(CCCCCCCCC)no1)C(=O)O.
What is the InChIKey of 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid?
The InChIKey is GDVQXNIGPNNLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-10-13-16-14(20-17-13)11-12(2)15(18)19/h2-11H2,1H3,(H,18,19).
What are the key properties of 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid?
2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 156545682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).