(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C16H21N5O3 — CID 91908075

IUPAC(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C16H21N5O3/c1-20-13(4-7-17-20)16(22)21-8-2-3-12(21)15-18-14(19-24-15)11-5-9-23-10-6-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyDTSWYFGPBRRKEG-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.67
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91908075) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91908075
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C16H21N5O3/c1-20-13(4-7-17-20)16(22)21-8-2-3-12(21)15-18-14(19-24-15)11-5-9-23-10-6-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyDTSWYFGPBRRKEG-UHFFFAOYSA-N
XLogP1.67
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91908075) is (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is DTSWYFGPBRRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20-13(4-7-17-20)16(22)21-8-2-3-12(21)15-18-14(19-24-15)11-5-9-23-10-6-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 331.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91908075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).