2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole

C15H20N4O2 — CID 167968979

IUPAC2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole
SMILESCc1ncc(CN2C[C@@H]3C[C@H]2CN3Cc2cnc(C)o2)o1
InChIInChI=1S/C15H20N4O2/c1-10-16-4-14(20-10)8-18-6-13-3-12(18)7-19(13)9-15-5-17-11(2)21-15/h4-5,12-13H,3,6-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyJYGAVWRGMOAUEN-STQMWFEESA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole

2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole (PubChem CID 167968979) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole
PubChem CID167968979
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole
SMILESCc1ncc(CN2C[C@@H]3C[C@H]2CN3Cc2cnc(C)o2)o1
InChIInChI=1S/C15H20N4O2/c1-10-16-4-14(20-10)8-18-6-13-3-12(18)7-19(13)9-15-5-17-11(2)21-15/h4-5,12-13H,3,6-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyJYGAVWRGMOAUEN-STQMWFEESA-N
XLogP1.74
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole (CID 167968979) is 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole is Cc1ncc(CN2C[C@@H]3C[C@H]2CN3Cc2cnc(C)o2)o1.
What is the InChIKey of 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole?
The InChIKey is JYGAVWRGMOAUEN-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-16-4-14(20-10)8-18-6-13-3-12(18)7-19(13)9-15-5-17-11(2)21-15/h4-5,12-13H,3,6-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole?
2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole has a molecular weight of 288.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1S,4S)-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 167968979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).