N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine

C10H19N3O2 — CID 115663726

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
SMILESCCc1nc(CCNC(C)COC)no1
InChIInChI=1S/C10H19N3O2/c1-4-10-12-9(13-15-10)5-6-11-8(2)7-14-3/h8,11H,4-7H2,1-3H3
InChIKeyVBWKCNTXTXVUBU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds7

About N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 115663726) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID115663726
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
SMILESCCc1nc(CCNC(C)COC)no1
InChIInChI=1S/C10H19N3O2/c1-4-10-12-9(13-15-10)5-6-11-8(2)7-14-3/h8,11H,4-7H2,1-3H3
InChIKeyVBWKCNTXTXVUBU-UHFFFAOYSA-N
XLogP0.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
CID 104583094
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
CID 95123282
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine (CID 115663726) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine is CCc1nc(CCNC(C)COC)no1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is VBWKCNTXTXVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-10-12-9(13-15-10)5-6-11-8(2)7-14-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).