4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine

C11H13N3O2 — CID 82358377

IUPAC4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1CCCOc1ccccc1
InChIInChI=1S/C11H13N3O2/c12-11-10(13-16-14-11)7-4-8-15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeySYKXRVJWVCJJDT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.66
Rot. Bonds5

About 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine

4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine (PubChem CID 82358377) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine
PubChem CID82358377
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1CCCOc1ccccc1
InChIInChI=1S/C11H13N3O2/c12-11-10(13-16-14-11)7-4-8-15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKeySYKXRVJWVCJJDT-UHFFFAOYSA-N
XLogP1.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxypropane-1-thiol
CID 18792707
6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
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3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-(cyclopropen-1-yl)propoxybenzene
CID 67452445
3-(3-phenoxypropoxy)pyridine
CID 86195847
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethoxybenzene;propoxybenzene
CID 67747691
4-(5-phenoxypentyl)pyridine
CID 117060417
2-phenoxyethylmercury
CID 163598363
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine (CID 82358377) is 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine is Nc1nonc1CCCOc1ccccc1.
What is the InChIKey of 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is SYKXRVJWVCJJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11-10(13-16-14-11)7-4-8-15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14).
What are the key properties of 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine?
4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82358377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).