[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone

C18H23N5O3 — CID 154855751

IUPAC[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCOc1cc(N2CC3CC2CN(C(=O)c2conc2C(C)C)C3)ncn1
InChIInChI=1S/C18H23N5O3/c1-11(2)17-14(9-26-21-17)18(24)22-6-12-4-13(8-22)23(7-12)15-5-16(25-3)20-10-19-15/h5,9-13H,4,6-8H2,1-3H3
InChIKeyFHDRKKPKTOQDFE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.95
Rot. Bonds4

About [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone

[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 154855751) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID154855751
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCOc1cc(N2CC3CC2CN(C(=O)c2conc2C(C)C)C3)ncn1
InChIInChI=1S/C18H23N5O3/c1-11(2)17-14(9-26-21-17)18(24)22-6-12-4-13(8-22)23(7-12)15-5-16(25-3)20-10-19-15/h5,9-13H,4,6-8H2,1-3H3
InChIKeyFHDRKKPKTOQDFE-UHFFFAOYSA-N
XLogP1.95
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 154855751) is [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone is COc1cc(N2CC3CC2CN(C(=O)c2conc2C(C)C)C3)ncn1.
What is the InChIKey of [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is FHDRKKPKTOQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)17-14(9-26-21-17)18(24)22-6-12-4-13(8-22)23(7-12)15-5-16(25-3)20-10-19-15/h5,9-13H,4,6-8H2,1-3H3.
What are the key properties of [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 154855751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).