[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine

C12H17N5O — CID 112754191

IUPAC[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc(CC3CCC3)no2)cn1
InChIInChI=1S/C12H17N5O/c1-17-7-9(6-14-17)11(13)12-15-10(16-18-12)5-8-3-2-4-8/h6-8,11H,2-5,13H2,1H3
InChIKeyBVEOONAGEWAFKM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.19
Rot. Bonds4

About [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine

[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine (PubChem CID 112754191) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
PubChem CID112754191
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc(CC3CCC3)no2)cn1
InChIInChI=1S/C12H17N5O/c1-17-7-9(6-14-17)11(13)12-15-10(16-18-12)5-8-3-2-4-8/h6-8,11H,2-5,13H2,1H3
InChIKeyBVEOONAGEWAFKM-UHFFFAOYSA-N
XLogP1.19
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288896
(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115288903
(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 113279657
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116808077
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288886
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
(1-methylpyrazol-4-yl)-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 113279655
[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288859
[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 107915209
[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 103083370

Frequently Asked Questions

What is the IUPAC name of [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine (CID 112754191) is [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc(CC3CCC3)no2)cn1.
What is the InChIKey of [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is BVEOONAGEWAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-7-9(6-14-17)11(13)12-15-10(16-18-12)5-8-3-2-4-8/h6-8,11H,2-5,13H2,1H3.
What are the key properties of [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine?
[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 112754191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).