N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine

C13H10N4O — CID 135972479

IUPACN-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/c1ccc(-c2ncon2)cc1)\c1ccc[nH]1
InChIInChI=1S/C13H10N4O/c1-2-12(14-7-1)8-15-11-5-3-10(4-6-11)13-16-9-18-17-13/h1-9,14H/b15-8+
InChIKeyCOOQVBOVFCTCRN-OVCLIPMQSA-N
MW238.25 g/mol
LogP2.82
Rot. Bonds3

About N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine

N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 135972479) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
PubChem CID135972479
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/c1ccc(-c2ncon2)cc1)\c1ccc[nH]1
InChIInChI=1S/C13H10N4O/c1-2-12(14-7-1)8-15-11-5-3-10(4-6-11)13-16-9-18-17-13/h1-9,14H/b15-8+
InChIKeyCOOQVBOVFCTCRN-OVCLIPMQSA-N
XLogP2.82
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine (CID 135972479) is N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine is C(=N/c1ccc(-c2ncon2)cc1)\c1ccc[nH]1.
What is the InChIKey of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is COOQVBOVFCTCRN-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-12(14-7-1)8-15-11-5-3-10(4-6-11)13-16-9-18-17-13/h1-9,14H/b15-8+.
What are the key properties of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine?
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 238.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 135972479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).