5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole

C19H23F2N5O — CID 155974648

IUPAC5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)c1cc(N2CCN(Cc3cc(C4CC4)on3)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H23F2N5O/c20-18(21)15-10-17(23-19(22-15)13-3-4-13)26-7-5-25(6-8-26)11-14-9-16(27-24-14)12-1-2-12/h9-10,12-13,18H,1-8,11H2
InChIKeyYNNCJLQFPXRPRP-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.48
Rot. Bonds6

About 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 155974648) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID155974648
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)c1cc(N2CCN(Cc3cc(C4CC4)on3)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H23F2N5O/c20-18(21)15-10-17(23-19(22-15)13-3-4-13)26-7-5-25(6-8-26)11-14-9-16(27-24-14)12-1-2-12/h9-10,12-13,18H,1-8,11H2
InChIKeyYNNCJLQFPXRPRP-UHFFFAOYSA-N
XLogP3.48
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
5-cyclopropyl-3-[[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 155974924
5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 163352191
5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
CID 175651639
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155980257
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 171326449
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 163350927
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole (CID 155974648) is 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole is FC(F)c1cc(N2CCN(Cc3cc(C4CC4)on3)CC2)nc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is YNNCJLQFPXRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c20-18(21)15-10-17(23-19(22-15)13-3-4-13)26-7-5-25(6-8-26)11-14-9-16(27-24-14)12-1-2-12/h9-10,12-13,18H,1-8,11H2.
What are the key properties of 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 375.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155974648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).