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

C16H23N3O2 — CID 111462156

IUPAC2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCc1nc(CN(Cc2ccccc2)C(CO)C(C)C)no1
InChIInChI=1S/C16H23N3O2/c1-12(2)15(11-20)19(9-14-7-5-4-6-8-14)10-16-17-13(3)21-18-16/h4-8,12,15,20H,9-11H2,1-3H3
InChIKeyYXRCUECNTJSTHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds7

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

2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 111462156) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
PubChem CID111462156
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCc1nc(CN(Cc2ccccc2)C(CO)C(C)C)no1
InChIInChI=1S/C16H23N3O2/c1-12(2)15(11-20)19(9-14-7-5-4-6-8-14)10-16-17-13(3)21-18-16/h4-8,12,15,20H,9-11H2,1-3H3
InChIKeyYXRCUECNTJSTHJ-UHFFFAOYSA-N
XLogP2.40
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-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

2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 111432014
2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
CID 111462171
(2S)-2-[(4-methoxyphenyl)methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 110010046
3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
CID 119146511
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
2-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-3-methylbutan-1-ol
CID 56792918
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
CID 50970463
(2R)-N-ethyl-1-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 94424318
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol (CID 111462156) is 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol is Cc1nc(CN(Cc2ccccc2)C(CO)C(C)C)no1.
What is the InChIKey of 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is YXRCUECNTJSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)15(11-20)19(9-14-7-5-4-6-8-14)10-16-17-13(3)21-18-16/h4-8,12,15,20H,9-11H2,1-3H3.
What are the key properties of 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol?
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 111462156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).