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

C8H14N2O2 — CID 106371738

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
SMILESCc1cnc(CNCCCO)o1
InChIInChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-2-4-11/h5,9,11H,2-4,6H2,1H3
InChIKeyOKQMHJTZBOAVHJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.46
Rot. Bonds5

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

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol (PubChem CID 106371738) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
PubChem CID106371738
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
SMILESCc1cnc(CNCCCO)o1
InChIInChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-2-4-11/h5,9,11H,2-4,6H2,1H3
InChIKeyOKQMHJTZBOAVHJ-UHFFFAOYSA-N
XLogP0.46
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 106372373
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106372226
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
CID 106372261
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol (CID 106371738) is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol is Cc1cnc(CNCCCO)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol?
The InChIKey is OKQMHJTZBOAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-2-4-11/h5,9,11H,2-4,6H2,1H3.
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol?
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol has a molecular weight of 170.21 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106371738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).