4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole

C14H23N3O — CID 86769321

IUPAC4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC3CCC(C2)N3C)oc1C
InChIInChI=1S/C14H23N3O/c1-10-11(2)18-14(15-10)9-17-7-6-12-4-5-13(8-17)16(12)3/h12-13H,4-9H2,1-3H3
InChIKeyOYCAPQVZADGNLY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds2

About 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole (PubChem CID 86769321) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
PubChem CID86769321
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC3CCC(C2)N3C)oc1C
InChIInChI=1S/C14H23N3O/c1-10-11(2)18-14(15-10)9-17-7-6-12-4-5-13(8-17)16(12)3/h12-13H,4-9H2,1-3H3
InChIKeyOYCAPQVZADGNLY-UHFFFAOYSA-N
XLogP1.96
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole (CID 86769321) is 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCC3CCC(C2)N3C)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The InChIKey is OYCAPQVZADGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-11(2)18-14(15-10)9-17-7-6-12-4-5-13(8-17)16(12)3/h12-13H,4-9H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole has a molecular weight of 249.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 86769321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).