2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C8H13N3O — CID 82413784

IUPAC2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(C(N)CC2CC2)no1
InChIInChI=1S/C8H13N3O/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyGZXZAWZSSSAZNI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.18
Rot. Bonds3

About 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 82413784) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID82413784
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(C(N)CC2CC2)no1
InChIInChI=1S/C8H13N3O/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3
InChIKeyGZXZAWZSSSAZNI-UHFFFAOYSA-N
XLogP1.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076
2-cyclopropyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)ethanamine
CID 82406982
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
CID 114264506
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559286
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832
2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114264511

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 82413784) is 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(C(N)CC2CC2)no1.
What is the InChIKey of 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is GZXZAWZSSSAZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-10-8(11-12-5)7(9)4-6-2-3-6/h6-7H,2-4,9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 82413784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).