2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide

C21H32N2O2 — CID 170752474

IUPAC2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCCCC2)nc1C(=O)N[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C21H32N2O2/c1-12-16-10-15(21(16,3)4)11-17(12)22-19(24)18-13(2)25-20(23-18)14-8-6-5-7-9-14/h12,14-17H,5-11H2,1-4H3,(H,22,24)/t12-,15+,16-,17-/m1/s1
InChIKeyTWLRZILTRHMOEH-VJUNAUMWSA-N
MW344.50 g/mol
LogP4.83
Rot. Bonds3

About 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide

2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide (PubChem CID 170752474) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide
PubChem CID170752474
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCCCC2)nc1C(=O)N[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C21H32N2O2/c1-12-16-10-15(21(16,3)4)11-17(12)22-19(24)18-13(2)25-20(23-18)14-8-6-5-7-9-14/h12,14-17H,5-11H2,1-4H3,(H,22,24)/t12-,15+,16-,17-/m1/s1
InChIKeyTWLRZILTRHMOEH-VJUNAUMWSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide (CID 170752474) is 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCCCC2)nc1C(=O)N[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.
What is the InChIKey of 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TWLRZILTRHMOEH-VJUNAUMWSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-12-16-10-15(21(16,3)4)11-17(12)22-19(24)18-13(2)25-20(23-18)14-8-6-5-7-9-14/h12,14-17H,5-11H2,1-4H3,(H,22,24)/t12-,15+,16-,17-/m1/s1.
What are the key properties of 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide?
2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170752474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).