2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid

C17H21N3O4 — CID 170637059

IUPAC2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid
SMILESC=C(Cc1ncno1)C(=O)O.c1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C11H15NO.C6H6N2O3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-4(6(9)10)2-5-7-3-8-11-5/h4-5,8-10H,1-3,6-7H2;3H,1-2H2,(H,9,10)
InChIKeyRCIQJTOGIKSFMN-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.05
Rot. Bonds5

About 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid

2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid (PubChem CID 170637059) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid
PubChem CID170637059
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid
SMILESC=C(Cc1ncno1)C(=O)O.c1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C11H15NO.C6H6N2O3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-4(6(9)10)2-5-7-3-8-11-5/h4-5,8-10H,1-3,6-7H2;3H,1-2H2,(H,9,10)
InChIKeyRCIQJTOGIKSFMN-UHFFFAOYSA-N
XLogP3.05
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid?
The IUPAC name of 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid (CID 170637059) is 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid is C=C(Cc1ncno1)C(=O)O.c1ccc(OC2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid?
The InChIKey is RCIQJTOGIKSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C6H6N2O3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-4(6(9)10)2-5-7-3-8-11-5/h4-5,8-10H,1-3,6-7H2;3H,1-2H2,(H,9,10).
What are the key properties of 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid?
2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid has a molecular weight of 331.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxypyridine;2-(1,2,4-oxadiazol-5-ylmethyl)prop-2-enoic acid is sourced from PubChem (CID 170637059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).