2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one

C17H23F2N5O2 — CID 172881310

IUPAC2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1
InChIInChI=1S/C17H23F2N5O2/c1-12(2)17-14(20-11-26-17)9-22-3-5-23(6-4-22)13-7-16(25)24(21-8-13)10-15(18)19/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyKLVQOZVGLLHGOP-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.94
Rot. Bonds6

About 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one

2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 172881310) has the molecular formula C17H23F2N5O2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID172881310
Molecular FormulaC17H23F2N5O2
Molecular Weight367.40 g/mol
Exact Mass367.18
IUPAC Name2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1
InChIInChI=1S/C17H23F2N5O2/c1-12(2)17-14(20-11-26-17)9-22-3-5-23(6-4-22)13-7-16(25)24(21-8-13)10-15(18)19/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyKLVQOZVGLLHGOP-UHFFFAOYSA-N
XLogP1.94
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one (CID 172881310) is 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one is CC(C)c1ocnc1CN1CCN(c2cnn(CC(F)F)c(=O)c2)CC1.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is KLVQOZVGLLHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O2/c1-12(2)17-14(20-11-26-17)9-22-3-5-23(6-4-22)13-7-16(25)24(21-8-13)10-15(18)19/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one?
2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 367.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 172881310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).