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

C15H13N3O2 — CID 103832480

IUPAC3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CNc3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)15-17-14(20-18-15)10-16-12-6-2-1-3-7-12/h1-9,16,19H,10H2
InChIKeySWXNNXDULCKEGQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.05
Rot. Bonds4

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

3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 103832480) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID103832480
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CNc3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)15-17-14(20-18-15)10-16-12-6-2-1-3-7-12/h1-9,16,19H,10H2
InChIKeySWXNNXDULCKEGQ-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

3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60683326
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102
3,5-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771037
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide
CID 154803213
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
4-N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 166379824

Frequently Asked Questions

What is the IUPAC name of 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 103832480) is 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(CNc3ccccc3)n2)c1.
What is the InChIKey of 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is SWXNNXDULCKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13-8-4-5-11(9-13)15-17-14(20-18-15)10-16-12-6-2-1-3-7-12/h1-9,16,19H,10H2.
What are the key properties of 3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]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-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 103832480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).