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

C7H13N3O2 — CID 103604755

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
SMILESCc1nnc(CNCCCO)o1
InChIInChI=1S/C7H13N3O2/c1-6-9-10-7(12-6)5-8-3-2-4-11/h8,11H,2-5H2,1H3
InChIKeyJKSHWOGVMBLYNY-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.15
Rot. Bonds5

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol (PubChem CID 103604755) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
PubChem CID103604755
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
SMILESCc1nnc(CNCCCO)o1
InChIInChI=1S/C7H13N3O2/c1-6-9-10-7(12-6)5-8-3-2-4-11/h8,11H,2-5H2,1H3
InChIKeyJKSHWOGVMBLYNY-UHFFFAOYSA-N
XLogP-0.15
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
2,2-difluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 106176448
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 107914883
N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400820
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol (CID 103604755) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol is Cc1nnc(CNCCCO)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol?
The InChIKey is JKSHWOGVMBLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-6-9-10-7(12-6)5-8-3-2-4-11/h8,11H,2-5H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol has a molecular weight of 171.20 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103604755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).