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

C16H23N3O2 — CID 78962061

IUPAC1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nnc(-c2ccc(C)cc2)o1)CC(C)(C)O
InChIInChI=1S/C16H23N3O2/c1-5-19(11-16(3,4)20)10-14-17-18-15(21-14)13-8-6-12(2)7-9-13/h6-9,20H,5,10-11H2,1-4H3
InChIKeyDFHAQUCINOIBGT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds6

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

1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 78962061) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID78962061
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nnc(-c2ccc(C)cc2)o1)CC(C)(C)O
InChIInChI=1S/C16H23N3O2/c1-5-19(11-16(3,4)20)10-14-17-18-15(21-14)13-8-6-12(2)7-9-13/h6-9,20H,5,10-11H2,1-4H3
InChIKeyDFHAQUCINOIBGT-UHFFFAOYSA-N
XLogP2.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 78962464
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol
CID 115637974
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 55625618
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336362
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
CID 8799683
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 60689039
1-cyclopropyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111858859

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol (CID 78962061) is 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nnc(-c2ccc(C)cc2)o1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is DFHAQUCINOIBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19(11-16(3,4)20)10-14-17-18-15(21-14)13-8-6-12(2)7-9-13/h6-9,20H,5,10-11H2,1-4H3.
What are the key properties of 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).