(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine

C9H15N3O2 — CID 43559369

IUPAC(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine
SMILESCCc1nc(C(N)C2CCOC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-9(12-14-7)8(10)6-3-4-13-5-6/h6,8H,2-5,10H2,1H3
InChIKeyZYNYTHBLGBXGPD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.67
Rot. Bonds3

About (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine

(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine (PubChem CID 43559369) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine
PubChem CID43559369
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine
SMILESCCc1nc(C(N)C2CCOC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-9(12-14-7)8(10)6-3-4-13-5-6/h6,8H,2-5,10H2,1H3
InChIKeyZYNYTHBLGBXGPD-UHFFFAOYSA-N
XLogP0.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
CID 106848650
3-(difluoromethyl)-5-ethyl-1,2,4-oxadiazole
CID 89411819
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 115716913
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104755690
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
CID 43559341
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741
(5-methyloxolan-2-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 82838432
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800306
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-(oxolan-3-yl)butan-1-amine
CID 63564938

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine (CID 43559369) is (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine is CCc1nc(C(N)C2CCOC2)no1.
What is the InChIKey of (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine?
The InChIKey is ZYNYTHBLGBXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-11-9(12-14-7)8(10)6-3-4-13-5-6/h6,8H,2-5,10H2,1H3.
What are the key properties of (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine?
(5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,4-oxadiazol-3-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 43559369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).