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

C13H17N3O3 — CID 103157533

IUPAC4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCOC(CN)Cc1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C13H17N3O3/c1-18-11(8-14)7-13-15-12(16-19-13)6-9-2-4-10(17)5-3-9/h2-5,11,17H,6-8,14H2,1H3
InChIKeyNRUZJDXNPCIGLZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.88
Rot. Bonds6

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

4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 103157533) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID103157533
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCOC(CN)Cc1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C13H17N3O3/c1-18-11(8-14)7-13-15-12(16-19-13)6-9-2-4-10(17)5-3-9/h2-5,11,17H,6-8,14H2,1H3
InChIKeyNRUZJDXNPCIGLZ-UHFFFAOYSA-N
XLogP0.88
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
3-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157675
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157724
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072267
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157784
2-methoxy-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157726
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
4-[[5-(1-amino-3-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 55076144
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
3-hydroxy-4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524386
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methoxypropan-1-amine
CID 103157717

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 103157533) is 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is COC(CN)Cc1nc(Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is NRUZJDXNPCIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-11(8-14)7-13-15-12(16-19-13)6-9-2-4-10(17)5-3-9/h2-5,11,17H,6-8,14H2,1H3.
What are the key properties of 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 263.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 103157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).