2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H21N5O2 — CID 75435653

IUPAC2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2Cc2nnc(C3CC3)o2)cn1
InChIInChI=1S/C16H21N5O2/c1-20-9-12(8-17-20)14(22)7-13-3-2-6-21(13)10-15-18-19-16(23-15)11-4-5-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyIYEXXJHMQARMDD-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75435653) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75435653
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2Cc2nnc(C3CC3)o2)cn1
InChIInChI=1S/C16H21N5O2/c1-20-9-12(8-17-20)14(22)7-13-3-2-6-21(13)10-15-18-19-16(23-15)11-4-5-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyIYEXXJHMQARMDD-UHFFFAOYSA-N
XLogP1.92
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75435653) is 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CCCN2Cc2nnc(C3CC3)o2)cn1.
What is the InChIKey of 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is IYEXXJHMQARMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-9-12(8-17-20)14(22)7-13-3-2-6-21(13)10-15-18-19-16(23-15)11-4-5-11/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75435653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).