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

C16H18N2O2 — CID 136734330

IUPAC4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+
InChIKeyIPFNIVHMRNQOCP-GZTJUZNOSA-N
MW270.33 g/mol
LogP3.80
Rot. Bonds3

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

4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (PubChem CID 136734330) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
PubChem CID136734330
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/C1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+
InChIKeyIPFNIVHMRNQOCP-GZTJUZNOSA-N
XLogP3.80
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
CID 5193577
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135432812
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 3983604
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (CID 136734330) is 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/C1CCCCC1.
What is the InChIKey of 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is IPFNIVHMRNQOCP-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2/b17-11+.
What are the key properties of 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 270.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 136734330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).