5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

C12H19N5O2 — CID 86782947

IUPAC5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2c(C)nn(C)c2C)o1
InChIInChI=1S/C12H19N5O2/c1-5-18-7-11-14-15-12(19-11)13-6-10-8(2)16-17(4)9(10)3/h5-7H2,1-4H3,(H,13,15)
InChIKeyKOGPYVSCJUKKKX-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.57
Rot. Bonds6

About 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86782947) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86782947
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2c(C)nn(C)c2C)o1
InChIInChI=1S/C12H19N5O2/c1-5-18-7-11-14-15-12(19-11)13-6-10-8(2)16-17(4)9(10)3/h5-7H2,1-4H3,(H,13,15)
InChIKeyKOGPYVSCJUKKKX-UHFFFAOYSA-N
XLogP1.57
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43750254
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498286
5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86790632
5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 75505664
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 28610096
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
1-[[4-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952824
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
1-[[2-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950707
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86782947) is 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is CCOCc1nnc(NCc2c(C)nn(C)c2C)o1.
What is the InChIKey of 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KOGPYVSCJUKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-18-7-11-14-15-12(19-11)13-6-10-8(2)16-17(4)9(10)3/h5-7H2,1-4H3,(H,13,15).
What are the key properties of 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).