[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone

C24H32N4O2 — CID 92554340

IUPAC[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)nc2C(C)C)on1
InChIInChI=1S/C24H32N4O2/c1-14(2)22-19(20-12-15(3)27-30-20)13-25-23(26-22)16-8-10-28(11-9-16)24(29)21-17-6-4-5-7-18(17)21/h12-14,16-18,21H,4-11H2,1-3H3/t17-,18+,21?
InChIKeyNPVRJYFXDMUBDS-HTZLVSCSSA-N
MW408.55 g/mol
LogP4.71
Rot. Bonds4

About [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone

[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92554340) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID92554340
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)nc2C(C)C)on1
InChIInChI=1S/C24H32N4O2/c1-14(2)22-19(20-12-15(3)27-30-20)13-25-23(26-22)16-8-10-28(11-9-16)24(29)21-17-6-4-5-7-18(17)21/h12-14,16-18,21H,4-11H2,1-3H3/t17-,18+,21?
InChIKeyNPVRJYFXDMUBDS-HTZLVSCSSA-N
XLogP4.71
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone (CID 92554340) is [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)nc2C(C)C)on1.
What is the InChIKey of [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is NPVRJYFXDMUBDS-HTZLVSCSSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-14(2)22-19(20-12-15(3)27-30-20)13-25-23(26-22)16-8-10-28(11-9-16)24(29)21-17-6-4-5-7-18(17)21/h12-14,16-18,21H,4-11H2,1-3H3/t17-,18+,21?.
What are the key properties of [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone?
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92554340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).