4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol

C14H15N5O2 — CID 107496062

IUPAC4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESNCCn1cnc(-c2nc(Cc3ccc(O)cc3)no2)c1
InChIInChI=1S/C14H15N5O2/c15-5-6-19-8-12(16-9-19)14-17-13(18-21-14)7-10-1-3-11(20)4-2-10/h1-4,8-9,20H,5-7,15H2
InChIKeyBNSAXPIHGDGXAH-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.19
Rot. Bonds5

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

4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 107496062) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID107496062
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESNCCn1cnc(-c2nc(Cc3ccc(O)cc3)no2)c1
InChIInChI=1S/C14H15N5O2/c15-5-6-19-8-12(16-9-19)14-17-13(18-21-14)7-10-1-3-11(20)4-2-10/h1-4,8-9,20H,5-7,15H2
InChIKeyBNSAXPIHGDGXAH-UHFFFAOYSA-N
XLogP1.19
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496103
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
4-[[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 60894442
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496449
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 107496062) is 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol is NCCn1cnc(-c2nc(Cc3ccc(O)cc3)no2)c1.
What is the InChIKey of 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is BNSAXPIHGDGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-5-6-19-8-12(16-9-19)14-17-13(18-21-14)7-10-1-3-11(20)4-2-10/h1-4,8-9,20H,5-7,15H2.
What are the key properties of 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol?
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 285.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 107496062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).