[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol

C23H27N3O3 — CID 154756546

IUPAC[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol
SMILESCc1nc(COc2ccc(CN(Cc3ccccc3)CC3(CO)CC3)cc2)no1
InChIInChI=1S/C23H27N3O3/c1-18-24-22(25-29-18)15-28-21-9-7-20(8-10-21)14-26(16-23(17-27)11-12-23)13-19-5-3-2-4-6-19/h2-10,27H,11-17H2,1H3
InChIKeySAOGJPYDIRLSFU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.73
Rot. Bonds10

About [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol

[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol (PubChem CID 154756546) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol
PubChem CID154756546
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol
SMILESCc1nc(COc2ccc(CN(Cc3ccccc3)CC3(CO)CC3)cc2)no1
InChIInChI=1S/C23H27N3O3/c1-18-24-22(25-29-18)15-28-21-9-7-20(8-10-21)14-26(16-23(17-27)11-12-23)13-19-5-3-2-4-6-19/h2-10,27H,11-17H2,1H3
InChIKeySAOGJPYDIRLSFU-UHFFFAOYSA-N
XLogP3.73
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

N'-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912672
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol
CID 111470477
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol
CID 91841621
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide
CID 72689157
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918

Frequently Asked Questions

What is the IUPAC name of [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol (CID 154756546) is [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol is Cc1nc(COc2ccc(CN(Cc3ccccc3)CC3(CO)CC3)cc2)no1.
What is the InChIKey of [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol?
The InChIKey is SAOGJPYDIRLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-18-24-22(25-29-18)15-28-21-9-7-20(8-10-21)14-26(16-23(17-27)11-12-23)13-19-5-3-2-4-6-19/h2-10,27H,11-17H2,1H3.
What are the key properties of [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol?
[1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol has a molecular weight of 393.49 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[benzyl-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 154756546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).