(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C11H18N6O2 — CID 125439339

IUPAC(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCOCCc1noc(CN[C@H](C)Cn2cncn2)n1
InChIInChI=1S/C11H18N6O2/c1-9(6-17-8-12-7-14-17)13-5-11-15-10(16-19-11)3-4-18-2/h7-9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyCMZFEJAVEIMLPN-SECBINFHSA-N
MW266.31 g/mol
LogP0.03
Rot. Bonds8

About (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 125439339) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID125439339
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCOCCc1noc(CN[C@H](C)Cn2cncn2)n1
InChIInChI=1S/C11H18N6O2/c1-9(6-17-8-12-7-14-17)13-5-11-15-10(16-19-11)3-4-18-2/h7-9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyCMZFEJAVEIMLPN-SECBINFHSA-N
XLogP0.03
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95205301
4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 115714418
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
3-methoxy-2,2-dimethyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]propan-1-amine
CID 125440075
(2R)-N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95223818
(2R,3S)-3-(4-methoxyphenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 97230919
(2R)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277768
(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277767
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56899150
(2S)-N-[(4-bromo-3-methylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95902252

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 125439339) is (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is COCCc1noc(CN[C@H](C)Cn2cncn2)n1.
What is the InChIKey of (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is CMZFEJAVEIMLPN-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-9(6-17-8-12-7-14-17)13-5-11-15-10(16-19-11)3-4-18-2/h7-9,13H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 266.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 125439339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).