(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone

C16H21N5O4 — CID 138026961

IUPAC(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
SMILESCOCc1nc(C2COCCN2C(=O)c2cnn(C3CCC3)c2)no1
InChIInChI=1S/C16H21N5O4/c1-23-10-14-18-15(19-25-14)13-9-24-6-5-20(13)16(22)11-7-17-21(8-11)12-3-2-4-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyYJAHUVAUHVTCMK-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.35
Rot. Bonds5

About (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone

(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone (PubChem CID 138026961) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
PubChem CID138026961
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
SMILESCOCc1nc(C2COCCN2C(=O)c2cnn(C3CCC3)c2)no1
InChIInChI=1S/C16H21N5O4/c1-23-10-14-18-15(19-25-14)13-9-24-6-5-20(13)16(22)11-7-17-21(8-11)12-3-2-4-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyYJAHUVAUHVTCMK-UHFFFAOYSA-N
XLogP1.35
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The IUPAC name of (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone (CID 138026961) is (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone is COCc1nc(C2COCCN2C(=O)c2cnn(C3CCC3)c2)no1.
What is the InChIKey of (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
The InChIKey is YJAHUVAUHVTCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-23-10-14-18-15(19-25-14)13-9-24-6-5-20(13)16(22)11-7-17-21(8-11)12-3-2-4-12/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone?
(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone has a molecular weight of 347.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 138026961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).