2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol

C20H26N2O3 — CID 5193577

IUPAC2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/C3CCCCC3)c(O)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-2-3-13-24-17-11-9-15(10-12-17)19-22-18(20(23)25-19)14-21-16-7-5-4-6-8-16/h9-12,14,16,23H,2-8,13H2,1H3/b21-14+
InChIKeyYUBFTNYYPMCBOU-KGENOOAVSA-N
MW342.44 g/mol
LogP4.98
Rot. Bonds7

About 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol

2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol (PubChem CID 5193577) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
PubChem CID5193577
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/C3CCCCC3)c(O)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-2-3-13-24-17-11-9-15(10-12-17)19-22-18(20(23)25-19)14-21-16-7-5-4-6-8-16/h9-12,14,16,23H,2-8,13H2,1H3/b21-14+
InChIKeyYUBFTNYYPMCBOU-KGENOOAVSA-N
XLogP4.98
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol (CID 5193577) is 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol is CCCCOc1ccc(-c2nc(/C=N/C3CCCCC3)c(O)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is YUBFTNYYPMCBOU-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-3-13-24-17-11-9-15(10-12-17)19-22-18(20(23)25-19)14-21-16-7-5-4-6-8-16/h9-12,14,16,23H,2-8,13H2,1H3/b21-14+.
What are the key properties of 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol?
2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 342.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5193577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).