1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C13H13N5O2 — CID 62717203

IUPAC1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C13H13N5O2/c14-10-6-15-18(7-10)8-13-16-12(17-20-13)9-19-11-4-2-1-3-5-11/h1-7H,8-9,14H2
InChIKeyDJTUDQLQAYTEGO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds5

About 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 62717203) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID62717203
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C13H13N5O2/c14-10-6-15-18(7-10)8-13-16-12(17-20-13)9-19-11-4-2-1-3-5-11/h1-7H,8-9,14H2
InChIKeyDJTUDQLQAYTEGO-UHFFFAOYSA-N
XLogP1.48
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62552548
1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62329913
1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65130997
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525
5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632012
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
CID 56914288
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 62717203) is 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(COc3ccccc3)no2)c1.
What is the InChIKey of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is DJTUDQLQAYTEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-10-6-15-18(7-10)8-13-16-12(17-20-13)9-19-11-4-2-1-3-5-11/h1-7H,8-9,14H2.
What are the key properties of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 271.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 62717203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).