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

C10H19N3O2 — CID 107911467

IUPAC4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
SMILESCc1nc(CNC(CO)CC(C)C)no1
InChIInChI=1S/C10H19N3O2/c1-7(2)4-9(6-14)11-5-10-12-8(3)15-13-10/h7,9,11,14H,4-6H2,1-3H3
InChIKeyUEIZQQWTBQBFEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds6

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

4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol (PubChem CID 107911467) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
PubChem CID107911467
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
SMILESCc1nc(CNC(CO)CC(C)C)no1
InChIInChI=1S/C10H19N3O2/c1-7(2)4-9(6-14)11-5-10-12-8(3)15-13-10/h7,9,11,14H,4-6H2,1-3H3
InChIKeyUEIZQQWTBQBFEH-UHFFFAOYSA-N
XLogP0.87
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
CID 106159720
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 100647343
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
CID 167047360
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol (CID 107911467) is 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol is Cc1nc(CNC(CO)CC(C)C)no1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is UEIZQQWTBQBFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)4-9(6-14)11-5-10-12-8(3)15-13-10/h7,9,11,14H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol?
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107911467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).