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

C10H20N4O2 — CID 106965470

IUPAC4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
SMILESCNC(C)c1nnc(N(C)CCC(C)O)o1
InChIInChI=1S/C10H20N4O2/c1-7(15)5-6-14(4)10-13-12-9(16-10)8(2)11-3/h7-8,11,15H,5-6H2,1-4H3
InChIKeyQWJUQJLQAMEUHR-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.56
Rot. Bonds6

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

4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol (PubChem CID 106965470) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
PubChem CID106965470
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
SMILESCNC(C)c1nnc(N(C)CCC(C)O)o1
InChIInChI=1S/C10H20N4O2/c1-7(15)5-6-14(4)10-13-12-9(16-10)8(2)11-3/h7-8,11,15H,5-6H2,1-4H3
InChIKeyQWJUQJLQAMEUHR-UHFFFAOYSA-N
XLogP0.56
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106959465
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969340
3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol
CID 106960095
5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106971387
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
CID 106962897
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968720
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
N,2-dimethyl-3-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106967445
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol (CID 106965470) is 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol is CNC(C)c1nnc(N(C)CCC(C)O)o1.
What is the InChIKey of 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol?
The InChIKey is QWJUQJLQAMEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(15)5-6-14(4)10-13-12-9(16-10)8(2)11-3/h7-8,11,15H,5-6H2,1-4H3.
What are the key properties of 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol?
4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol has a molecular weight of 228.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol is sourced from PubChem (CID 106965470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).