1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

C7H13N3O2 — CID 95757338

IUPAC1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc([C@H](C)OC)no1
InChIInChI=1S/C7H13N3O2/c1-5(11-3)7-9-6(4-8-2)12-10-7/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyRWVLOKYUUAAUOH-YFKPBYRVSA-N
MW171.20 g/mol
LogP0.50
Rot. Bonds4

About 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (PubChem CID 95757338) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
PubChem CID95757338
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc([C@H](C)OC)no1
InChIInChI=1S/C7H13N3O2/c1-5(11-3)7-9-6(4-8-2)12-10-7/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyRWVLOKYUUAAUOH-YFKPBYRVSA-N
XLogP0.50
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
(3S)-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632953
(3R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632951
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
3-hydroxy-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525804
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 124731860
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 79604309
(1R,2S,5R)-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 97260926
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79604725
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 79604811

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (CID 95757338) is 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is CNCc1nc([C@H](C)OC)no1.
What is the InChIKey of 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The InChIKey is RWVLOKYUUAAUOH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(11-3)7-9-6(4-8-2)12-10-7/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine has a molecular weight of 171.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 95757338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).