4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole

C22H34N2O2 — CID 118421641

IUPAC4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
SMILESCC1(C)CCC(c2noc(C3CC3)c2COC2CC3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3/t16-,17?,18?/m0/s1
InChIKeyRQJKJYWXIRHUGI-AOCRQIFASA-N
MW358.53 g/mol
LogP5.04
Rot. Bonds5

About 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole

4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole (PubChem CID 118421641) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
PubChem CID118421641
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
SMILESCC1(C)CCC(c2noc(C3CC3)c2COC2CC3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3/t16-,17?,18?/m0/s1
InChIKeyRQJKJYWXIRHUGI-AOCRQIFASA-N
XLogP5.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The IUPAC name of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole (CID 118421641) is 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole.
What is the SMILES notation for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The canonical SMILES for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole is CC1(C)CCC(c2noc(C3CC3)c2COC2CC3CC[C@@H](C2)N3)CC1.
What is the InChIKey of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The InChIKey is RQJKJYWXIRHUGI-AOCRQIFASA-N. The full InChI is InChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3/t16-,17?,18?/m0/s1.
What are the key properties of 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole has a molecular weight of 358.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole is sourced from PubChem (CID 118421641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).