(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine

C15H17N5O — CID 95728045

IUPAC(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
SMILESC[C@H](c1ccon1)N(C)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H17N5O/c1-12(15-8-9-21-17-15)19(2)10-13-11-20(18-16-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyKKDRDFOCVPUERG-GFCCVEGCSA-N
MW283.34 g/mol
LogP2.45
Rot. Bonds5

About (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine

(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 95728045) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID95728045
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
SMILESC[C@H](c1ccon1)N(C)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H17N5O/c1-12(15-8-9-21-17-15)19(2)10-13-11-20(18-16-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyKKDRDFOCVPUERG-GFCCVEGCSA-N
XLogP2.45
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 101362186
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 97226690
5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
CID 56886303
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 77093245
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
2-[butan-2-yl-[(1-phenyltriazol-4-yl)methyl]amino]acetic acid;hydrochloride
CID 91646080
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 99958125
(1S)-N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42513649
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
(2S)-2-[furan-2-ylmethyl-[(1-phenyltriazol-4-yl)methyl]amino]butan-1-ol
CID 99938099
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine (CID 95728045) is (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine is C[C@H](c1ccon1)N(C)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is KKDRDFOCVPUERG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12(15-8-9-21-17-15)19(2)10-13-11-20(18-16-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 95728045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).