5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

C20H22N6O — CID 163352191

IUPAC5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(-c2ccnc(N3CCN(Cc4cc(C5CC5)on4)CC3)n2)ccn1
InChIInChI=1S/C20H22N6O/c1-2-16(1)19-13-17(24-27-19)14-25-9-11-26(12-10-25)20-22-8-5-18(23-20)15-3-6-21-7-4-15/h3-8,13,16H,1-2,9-12,14H2
InChIKeyNEBLEFFXPLJMJH-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.73
Rot. Bonds5

About 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 163352191) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID163352191
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESc1cc(-c2ccnc(N3CCN(Cc4cc(C5CC5)on4)CC3)n2)ccn1
InChIInChI=1S/C20H22N6O/c1-2-16(1)19-13-17(24-27-19)14-25-9-11-26(12-10-25)20-22-8-5-18(23-20)15-3-6-21-7-4-15/h3-8,13,16H,1-2,9-12,14H2
InChIKeyNEBLEFFXPLJMJH-UHFFFAOYSA-N
XLogP2.73
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 163352191) is 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is c1cc(-c2ccnc(N3CCN(Cc4cc(C5CC5)on4)CC3)n2)ccn1.
What is the InChIKey of 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is NEBLEFFXPLJMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-16(1)19-13-17(24-27-19)14-25-9-11-26(12-10-25)20-22-8-5-18(23-20)15-3-6-21-7-4-15/h3-8,13,16H,1-2,9-12,14H2.
What are the key properties of 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 362.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 163352191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).