4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

C16H13N3O2 — CID 3983604

IUPAC4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCc1cccnc1N=Cc1nc(-c2ccccc2)oc1O
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-17-14(11)18-10-13-16(20)21-15(19-13)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyGKKYPXXLAHRJPF-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.50
Rot. Bonds3

About 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 3983604) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID3983604
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCc1cccnc1N=Cc1nc(-c2ccccc2)oc1O
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-17-14(11)18-10-13-16(20)21-15(19-13)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyGKKYPXXLAHRJPF-UHFFFAOYSA-N
XLogP3.50
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135432812
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
2-(4-bromophenyl)-4-[(E)-pyrimidin-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135684440
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-(cyclohexyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
CID 136734330
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (CID 3983604) is 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is Cc1cccnc1N=Cc1nc(-c2ccccc2)oc1O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is GKKYPXXLAHRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-5-9-17-14(11)18-10-13-16(20)21-15(19-13)12-7-3-2-4-8-12/h2-10,20H,1H3.
What are the key properties of 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 279.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 3983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).