1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol

C16H23N3O3 — CID 110019525

IUPAC1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCOCc1nc(CN(Cc2ccccc2)CC(C)(C)O)no1
InChIInChI=1S/C16H23N3O3/c1-16(2,20)12-19(9-13-7-5-4-6-8-13)10-14-17-15(11-21-3)22-18-14/h4-8,20H,9-12H2,1-3H3
InChIKeyLIMJMPKDVYJZCK-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.99
Rot. Bonds8

About 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol

1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 110019525) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID110019525
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCOCc1nc(CN(Cc2ccccc2)CC(C)(C)O)no1
InChIInChI=1S/C16H23N3O3/c1-16(2,20)12-19(9-13-7-5-4-6-8-13)10-14-17-15(11-21-3)22-18-14/h4-8,20H,9-12H2,1-3H3
InChIKeyLIMJMPKDVYJZCK-UHFFFAOYSA-N
XLogP1.99
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
CID 120750424
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dibenzyl-N-methylethane-1,2-diamine
CID 120753052
1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 78963940
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzylprop-2-en-1-amine;hydrochloride
CID 120751127
2-[benzyl-(2-hydroxy-2-methylpropyl)amino]acetate
CID 86671796
2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 111432014
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79389456
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine
CID 120751247
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
CID 46992181
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol (CID 110019525) is 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol is COCc1nc(CN(Cc2ccccc2)CC(C)(C)O)no1.
What is the InChIKey of 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is LIMJMPKDVYJZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,20)12-19(9-13-7-5-4-6-8-13)10-14-17-15(11-21-3)22-18-14/h4-8,20H,9-12H2,1-3H3.
What are the key properties of 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 305.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 110019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).