(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C12H21N3O2 — CID 99855837

IUPAC(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCc1nc(CN[C@@H](C)[C@@H]2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-3-4-12-14-11(15-17-12)7-13-9(2)10-5-6-16-8-10/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyBOETUEIXFUMWFH-VHSXEESVSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds6

About (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 99855837) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID99855837
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCc1nc(CN[C@@H](C)[C@@H]2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-3-4-12-14-11(15-17-12)7-13-9(2)10-5-6-16-8-10/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyBOETUEIXFUMWFH-VHSXEESVSA-N
XLogP1.54
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
5-[[1-(oxolan-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103268155
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 115716913
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103777540
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 99855837) is (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCCc1nc(CN[C@@H](C)[C@@H]2CCOC2)no1.
What is the InChIKey of (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is BOETUEIXFUMWFH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-4-12-14-11(15-17-12)7-13-9(2)10-5-6-16-8-10/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 99855837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).