2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole

C17H22N6O — CID 72861198

IUPAC2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
SMILESc1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)nc1
InChIInChI=1S/C17H22N6O/c1-6-18-17(19-7-1)23-9-12-2-5-14(10-23)22(8-12)11-15-20-21-16(24-15)13-3-4-13/h1,6-7,12-14H,2-5,8-11H2/t12-,14-/m1/s1
InChIKeyONVGPUJNXFYDER-TZMCWYRMSA-N
MW326.40 g/mol
LogP1.84
Rot. Bonds4

About 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole (PubChem CID 72861198) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
PubChem CID72861198
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole
SMILESc1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)nc1
InChIInChI=1S/C17H22N6O/c1-6-18-17(19-7-1)23-9-12-2-5-14(10-23)22(8-12)11-15-20-21-16(24-15)13-3-4-13/h1,6-7,12-14H,2-5,8-11H2/t12-,14-/m1/s1
InChIKeyONVGPUJNXFYDER-TZMCWYRMSA-N
XLogP1.84
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole (CID 72861198) is 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole is c1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)nc1.
What is the InChIKey of 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is ONVGPUJNXFYDER-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H22N6O/c1-6-18-17(19-7-1)23-9-12-2-5-14(10-23)22(8-12)11-15-20-21-16(24-15)13-3-4-13/h1,6-7,12-14H,2-5,8-11H2/t12-,14-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 326.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 72861198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).