(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C7H13N3O2 — CID 94241265

IUPAC(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(COC)no1
InChIInChI=1S/C7H13N3O2/c1-3-5(8)7-9-6(4-11-2)10-12-7/h5H,3-4,8H2,1-2H3/t5-/m0/s1
InChIKeyWWWVPDQJVCAIKE-YFKPBYRVSA-N
MW171.20 g/mol
LogP0.63
Rot. Bonds4

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

(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 94241265) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID94241265
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(COC)no1
InChIInChI=1S/C7H13N3O2/c1-3-5(8)7-9-6(4-11-2)10-12-7/h5H,3-4,8H2,1-2H3/t5-/m0/s1
InChIKeyWWWVPDQJVCAIKE-YFKPBYRVSA-N
XLogP0.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881157
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
5-(1-bromoethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 70538358
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590
1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954731
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915242
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220796
(1S)-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880736
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 94241265) is (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@H](N)c1nc(COC)no1.
What is the InChIKey of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is WWWVPDQJVCAIKE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-5(8)7-9-6(4-11-2)10-12-7/h5H,3-4,8H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 171.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 94241265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).