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

C12H15N3O2 — CID 43470380

IUPAC4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCCC(N)c1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-2-10(13)12-14-11(15-17-12)7-8-3-5-9(16)6-4-8/h3-6,10,16H,2,7,13H2,1H3
InChIKeyIFGKQKMQNZMJTN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds4

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

4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 43470380) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID43470380
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCCC(N)c1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-2-10(13)12-14-11(15-17-12)7-8-3-5-9(16)6-4-8/h3-6,10,16H,2,7,13H2,1H3
InChIKeyIFGKQKMQNZMJTN-UHFFFAOYSA-N
XLogP1.78
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43104742
(1S)-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880736
4-[[5-(1-amino-3-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 55076144
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915242
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
4-[2-amino-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 65129613
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
(1R)-3-methyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 94400325
3-amino-3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 61229704
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94241265
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347122

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 43470380) is 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is CCC(N)c1nc(Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is IFGKQKMQNZMJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-10(13)12-14-11(15-17-12)7-8-3-5-9(16)6-4-8/h3-6,10,16H,2,7,13H2,1H3.
What are the key properties of 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 43470380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).