3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol

C14H19N3O3 — CID 110019524

IUPAC3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
SMILESCOCc1nc(CNC(CCO)c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-19-10-14-16-13(17-20-14)9-15-12(7-8-18)11-5-3-2-4-6-11/h2-6,12,15,18H,7-10H2,1H3
InChIKeyLGQQOTIPZKTEHZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds8

About 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol

3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol (PubChem CID 110019524) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
PubChem CID110019524
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
SMILESCOCc1nc(CNC(CCO)c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-19-10-14-16-13(17-20-14)9-15-12(7-8-18)11-5-3-2-4-6-11/h2-6,12,15,18H,7-10H2,1H3
InChIKeyLGQQOTIPZKTEHZ-UHFFFAOYSA-N
XLogP1.43
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol 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

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 54978293
(1S)-2-(4-methylpiperazin-1-yl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylethanamine
CID 97258453
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
CID 126774023
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
CID 63892213
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
N-[[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205518
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol (CID 110019524) is 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol is COCc1nc(CNC(CCO)c2ccccc2)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol?
The InChIKey is LGQQOTIPZKTEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-10-14-16-13(17-20-14)9-15-12(7-8-18)11-5-3-2-4-6-11/h2-6,12,15,18H,7-10H2,1H3.
What are the key properties of 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol?
3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol has a molecular weight of 277.32 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 110019524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).