N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine

C9H13N3O2 — CID 86601368

IUPACN-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine
SMILESC=CCONC1CNCc2oncc21
InChIInChI=1S/C9H13N3O2/c1-2-3-13-12-8-5-10-6-9-7(8)4-11-14-9/h2,4,8,10,12H,1,3,5-6H2
InChIKeyFTUGARADTYQXIJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds4

About N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine

N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine (PubChem CID 86601368) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine
PubChem CID86601368
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine
SMILESC=CCONC1CNCc2oncc21
InChIInChI=1S/C9H13N3O2/c1-2-3-13-12-8-5-10-6-9-7(8)4-11-14-9/h2,4,8,10,12H,1,3,5-6H2
InChIKeyFTUGARADTYQXIJ-UHFFFAOYSA-N
XLogP0.53
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine?
The IUPAC name of N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine (CID 86601368) is N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine is C=CCONC1CNCc2oncc21.
What is the InChIKey of N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine?
The InChIKey is FTUGARADTYQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-13-12-8-5-10-6-9-7(8)4-11-14-9/h2,4,8,10,12H,1,3,5-6H2.
What are the key properties of N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine?
N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine has a molecular weight of 195.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 86601368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).