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

C10H17N3O2 — CID 115027387

IUPAC3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC1(c2nnc(CCCN)o2)CCOC1
InChIInChI=1S/C10H17N3O2/c1-10(4-6-14-7-10)9-13-12-8(15-9)3-2-5-11/h2-7,11H2,1H3
InChIKeySRFVECMVWALJSQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds4

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

3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 115027387) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID115027387
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC1(c2nnc(CCCN)o2)CCOC1
InChIInChI=1S/C10H17N3O2/c1-10(4-6-14-7-10)9-13-12-8(15-9)3-2-5-11/h2-7,11H2,1H3
InChIKeySRFVECMVWALJSQ-UHFFFAOYSA-N
XLogP0.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115027380
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 105429886
[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115013269
3-[2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115034594
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62589148
2-(chloromethyl)-5-(3-methoxyoxolan-3-yl)-1,3,4-oxadiazole
CID 122163303
3-[5-(ethoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070936
[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
CID 115020665
3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 106828244
2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115027385
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine;hydrochloride
CID 163331262

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 115027387) is 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC1(c2nnc(CCCN)o2)CCOC1.
What is the InChIKey of 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is SRFVECMVWALJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(4-6-14-7-10)9-13-12-8(15-9)3-2-5-11/h2-7,11H2,1H3.
What are the key properties of 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 115027387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).