2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C17H21N5O3 — CID 56808422

IUPAC2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C17H21N5O3/c18-10-13-17(25-16(19-13)12-3-4-12)21-8-6-20(7-9-21)15(24)11-22-5-1-2-14(22)23/h12H,1-9,11H2
InChIKeyOUPXTBKWJBGMTD-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.69
Rot. Bonds4

About 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 56808422) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID56808422
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C17H21N5O3/c18-10-13-17(25-16(19-13)12-3-4-12)21-8-6-20(7-9-21)15(24)11-22-5-1-2-14(22)23/h12H,1-9,11H2
InChIKeyOUPXTBKWJBGMTD-UHFFFAOYSA-N
XLogP0.69
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 56808422) is 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OUPXTBKWJBGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-10-13-17(25-16(19-13)12-3-4-12)21-8-6-20(7-9-21)15(24)11-22-5-1-2-14(22)23/h12H,1-9,11H2.
What are the key properties of 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 56808422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).