4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol

C15H12ClN3O2 — CID 29031159

IUPAC4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-6-14(20)11(7-12)8-17-13-4-1-10(2-5-13)15-19-18-9-21-15/h1-7,9,17,20H,8H2
InChIKeySUFAYYISROTQJU-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol

4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol (PubChem CID 29031159) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
PubChem CID29031159
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-6-14(20)11(7-12)8-17-13-4-1-10(2-5-13)15-19-18-9-21-15/h1-7,9,17,20H,8H2
InChIKeySUFAYYISROTQJU-UHFFFAOYSA-N
XLogP3.71
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 103818606
2-methyl-6-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 115903751
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
CID 28713238
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43663669
4-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713347
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
N-[(3-bromo-4-methylphenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115876885
4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
CID 66351861
2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
CID 66387317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol (CID 29031159) is 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol is Oc1ccc(Cl)cc1CNc1ccc(-c2nnco2)cc1.
What is the InChIKey of 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol?
The InChIKey is SUFAYYISROTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-3-6-14(20)11(7-12)8-17-13-4-1-10(2-5-13)15-19-18-9-21-15/h1-7,9,17,20H,8H2.
What are the key properties of 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol?
4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol has a molecular weight of 301.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol is sourced from PubChem (CID 29031159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).