N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C11H21N3O2 — CID 63347818

IUPACN-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-5-12-9(7-15-4)6-10-13-11(8(2)3)14-16-10/h8-9,12H,5-7H2,1-4H3
InChIKeyVOYKFTNTBBBCRB-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.36
Rot. Bonds7

About N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 63347818) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID63347818
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-5-12-9(7-15-4)6-10-13-11(8(2)3)14-16-10/h8-9,12H,5-7H2,1-4H3
InChIKeyVOYKFTNTBBBCRB-UHFFFAOYSA-N
XLogP1.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809175
N-ethyl-1-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348588
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993
N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 55202602
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methoxypropan-2-amine
CID 63347697
N-ethyl-1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 115389103
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 63347818) is N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CCNC(COC)Cc1nc(C(C)C)no1.
What is the InChIKey of N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is VOYKFTNTBBBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-12-9(7-15-4)6-10-13-11(8(2)3)14-16-10/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 63347818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).