4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C11H17N3O2 — CID 115292653

IUPAC4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C11H17N3O2/c1-10(2-3-10)8-13-9(16-14-8)11(12)4-6-15-7-5-11/h2-7,12H2,1H3
InChIKeyNBDWKSUHYRPWNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.09
Rot. Bonds2

About 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 115292653) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID115292653
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C11H17N3O2/c1-10(2-3-10)8-13-9(16-14-8)11(12)4-6-15-7-5-11/h2-7,12H2,1H3
InChIKeyNBDWKSUHYRPWNW-UHFFFAOYSA-N
XLogP1.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-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

Related Compounds

4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
5-(4-aminooxan-4-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808189
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 118264609
1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 116742976
4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
CID 137011204
4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 113280371
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64888058
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292615

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 115292653) is 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CC1(c2noc(C3(N)CCOCC3)n2)CC1.
What is the InChIKey of 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is NBDWKSUHYRPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-10(2-3-10)8-13-9(16-14-8)11(12)4-6-15-7-5-11/h2-7,12H2,1H3.
What are the key properties of 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 115292653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).