[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone

C24H26N4O3 — CID 90442501

IUPAC[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-14-11-15(2)26-24(25-14)30-13-18-12-19-9-10-20(18)28(19)23(29)21-16(3)27-31-22(21)17-7-5-4-6-8-17/h4-8,11,18-20H,9-10,12-13H2,1-3H3
InChIKeyLJMLCMQJTFXPIW-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.13
Rot. Bonds5

About [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone

[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 90442501) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID90442501
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-14-11-15(2)26-24(25-14)30-13-18-12-19-9-10-20(18)28(19)23(29)21-16(3)27-31-22(21)17-7-5-4-6-8-17/h4-8,11,18-20H,9-10,12-13H2,1-3H3
InChIKeyLJMLCMQJTFXPIW-UHFFFAOYSA-N
XLogP4.13
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone (CID 90442501) is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone is Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1.
What is the InChIKey of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is LJMLCMQJTFXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-11-15(2)26-24(25-14)30-13-18-12-19-9-10-20(18)28(19)23(29)21-16(3)27-31-22(21)17-7-5-4-6-8-17/h4-8,11,18-20H,9-10,12-13H2,1-3H3.
What are the key properties of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone?
[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 418.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 90442501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).