2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H29N3O5S — CID 7296329

IUPAC2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C19H29N3O5S/c1-5-8-22(11-17(24)20-16-9-13(2)27-21-16)28(25,26)12-19-7-6-14(10-15(19)23)18(19,3)4/h9,14H,5-8,10-12H2,1-4H3,(H,20,21,24)/t14-,19-/m1/s1
InChIKeyOSXGBNCVMRMKQZ-AUUYWEPGSA-N
MW411.52 g/mol
LogP2.36
Rot. Bonds8

About 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7296329) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7296329
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C19H29N3O5S/c1-5-8-22(11-17(24)20-16-9-13(2)27-21-16)28(25,26)12-19-7-6-14(10-15(19)23)18(19,3)4/h9,14H,5-8,10-12H2,1-4H3,(H,20,21,24)/t14-,19-/m1/s1
InChIKeyOSXGBNCVMRMKQZ-AUUYWEPGSA-N
XLogP2.36
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7296329) is 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C.
What is the InChIKey of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OSXGBNCVMRMKQZ-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-5-8-22(11-17(24)20-16-9-13(2)27-21-16)28(25,26)12-19-7-6-14(10-15(19)23)18(19,3)4/h9,14H,5-8,10-12H2,1-4H3,(H,20,21,24)/t14-,19-/m1/s1.
What are the key properties of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 411.52 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7296329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).