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

C15H21N3O2 — CID 115637974

IUPAC2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol
SMILESCc1ccc(-c2nnc(CN(C)C(C)(C)CO)o2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-17-16-13(20-14)9-18(4)15(2,3)10-19/h5-8,19H,9-10H2,1-4H3
InChIKeyRIQBBNYBFQPCEO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds5

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

2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol (PubChem CID 115637974) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol
PubChem CID115637974
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol
SMILESCc1ccc(-c2nnc(CN(C)C(C)(C)CO)o2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-17-16-13(20-14)9-18(4)15(2,3)10-19/h5-8,19H,9-10H2,1-4H3
InChIKeyRIQBBNYBFQPCEO-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666845
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962061
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
1-cyclopropyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111858859
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
3,4-dimethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651721
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115640871
2-methyl-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]propan-1-ol
CID 115640881
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol (CID 115637974) is 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol is Cc1ccc(-c2nnc(CN(C)C(C)(C)CO)o2)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol?
The InChIKey is RIQBBNYBFQPCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-17-16-13(20-14)9-18(4)15(2,3)10-19/h5-8,19H,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol?
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 115637974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).