4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol

C14H11N3O2 — CID 135860745

IUPAC4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESNc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2
InChIKeyNBCBMEDGWQKNBM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.69
Rot. Bonds2

About 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol

4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135860745) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135860745
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESNc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2
InChIKeyNBCBMEDGWQKNBM-UHFFFAOYSA-N
XLogP2.69
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
CID 167533534
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
4-(4-aminophenyl)aniline;phenol
CID 159428015
[4-[5-(4-azanidylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]azanide
CID 163682505
4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
CID 172676237
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698630

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 135860745) is 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol is Nc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NBCBMEDGWQKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-11-5-1-9(2-6-11)13-16-17-14(19-13)10-3-7-12(18)8-4-10/h1-8,18H,15H2.
What are the key properties of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135860745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).