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

C11H10N2O2 — CID 571092

IUPAC4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESC/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C11H10N2O2/c1-12-7-9-11(14)15-10(13-9)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7+
InChIKeyNHBUZJDSBIXEPC-KPKJPENVSA-N
MW202.21 g/mol
LogP2.10
Rot. Bonds2

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

4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (PubChem CID 571092) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
PubChem CID571092
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESC/N=C/c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C11H10N2O2/c1-12-7-9-11(14)15-10(13-9)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7+
InChIKeyNHBUZJDSBIXEPC-KPKJPENVSA-N
XLogP2.10
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (CID 571092) is 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is C/N=C/c1nc(-c2ccccc2)oc1O.
What is the InChIKey of 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is NHBUZJDSBIXEPC-KPKJPENVSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-12-7-9-11(14)15-10(13-9)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7+.
What are the key properties of 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 202.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 571092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).