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

C18H25N5O2 — CID 47524041

IUPAC2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C18H25N5O2/c19-13-15-18(25-17(20-15)14-4-5-14)23-11-9-21(10-12-23)6-2-8-22-7-1-3-16(22)24/h14H,1-12H2
InChIKeyHQRUJGGALGNRJW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.56
Rot. Bonds6

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

2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 47524041) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID47524041
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C18H25N5O2/c19-13-15-18(25-17(20-15)14-4-5-14)23-11-9-21(10-12-23)6-2-8-22-7-1-3-16(22)24/h14H,1-12H2
InChIKeyHQRUJGGALGNRJW-UHFFFAOYSA-N
XLogP1.56
TPSA76.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.56
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-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 47524041) is 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(CCCN2CCCC2=O)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is HQRUJGGALGNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-13-15-18(25-17(20-15)14-4-5-14)23-11-9-21(10-12-23)6-2-8-22-7-1-3-16(22)24/h14H,1-12H2.
What are the key properties of 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 47524041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).