3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol

C15H13N3O2 — CID 133482297

IUPAC3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)10-16-15-17-14(20-18-15)12-6-2-1-3-7-12/h1-9,19H,10H2,(H,16,18)
InChIKeyCUPMZZGUUKRVSE-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.05
Rot. Bonds4

About 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol

3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol (PubChem CID 133482297) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
PubChem CID133482297
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)10-16-15-17-14(20-18-15)12-6-2-1-3-7-12/h1-9,19H,10H2,(H,16,18)
InChIKeyCUPMZZGUUKRVSE-UHFFFAOYSA-N
XLogP3.05
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133481959
methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate
CID 133481785
3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide
CID 133482787
5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
CID 133481887
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
CID 43678229
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483110
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide
CID 75509828
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482502
3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483185
4-methyl-5-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483445

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol (CID 133482297) is 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol is Oc1cccc(CNc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol?
The InChIKey is CUPMZZGUUKRVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)10-16-15-17-14(20-18-15)12-6-2-1-3-7-12/h1-9,19H,10H2,(H,16,18).
What are the key properties of 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol?
3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 133482297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).