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

C16H27N3O — CID 71985448

IUPAC4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC3CCC(C2)N3C(C)C)oc1C
InChIInChI=1S/C16H27N3O/c1-11(2)19-14-5-6-15(19)9-18(8-7-14)10-16-17-12(3)13(4)20-16/h11,14-15H,5-10H2,1-4H3
InChIKeyRYKKQJISXADTGH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.74
Rot. Bonds3

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

4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole (PubChem CID 71985448) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
PubChem CID71985448
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC3CCC(C2)N3C(C)C)oc1C
InChIInChI=1S/C16H27N3O/c1-11(2)19-14-5-6-15(19)9-18(8-7-14)10-16-17-12(3)13(4)20-16/h11,14-15H,5-10H2,1-4H3
InChIKeyRYKKQJISXADTGH-UHFFFAOYSA-N
XLogP2.74
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 146139036
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
CID 97004937
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole (CID 71985448) is 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCC3CCC(C2)N3C(C)C)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
The InChIKey is RYKKQJISXADTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)19-14-5-6-15(19)9-18(8-7-14)10-16-17-12(3)13(4)20-16/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole has a molecular weight of 277.41 g/mol, XLogP of 2.74, 3 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-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 71985448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).