(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C11H19N3O3 — CID 104915552

IUPAC(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C11H19N3O3/c1-3-8(12)9-13-10(14-17-9)11(15-2)4-6-16-7-5-11/h8H,3-7,12H2,1-2H3/t8-/m1/s1
InChIKeyKKKUIUMWQGKWDW-MRVPVSSYSA-N
MW241.29 g/mol
LogP1.13
Rot. Bonds4

About (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915552) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915552
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C11H19N3O3/c1-3-8(12)9-13-10(14-17-9)11(15-2)4-6-16-7-5-11/h8H,3-7,12H2,1-2H3/t8-/m1/s1
InChIKeyKKKUIUMWQGKWDW-MRVPVSSYSA-N
XLogP1.13
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 116742099
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781274
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915562
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915552) is (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@@H](N)c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is KKKUIUMWQGKWDW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-8(12)9-13-10(14-17-9)11(15-2)4-6-16-7-5-11/h8H,3-7,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 241.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).