2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C18H23N3O3S — CID 51111003

IUPAC2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cn1nc(-c3cccs3)oc1=O)C2
InChIInChI=1S/C18H23N3O3S/c1-17(2)11-6-7-18(17,3)13(9-11)19-14(22)10-21-16(23)24-15(20-21)12-5-4-8-25-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyRZMRBMMPXSYGGJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 51111003) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID51111003
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cn1nc(-c3cccs3)oc1=O)C2
InChIInChI=1S/C18H23N3O3S/c1-17(2)11-6-7-18(17,3)13(9-11)19-14(22)10-21-16(23)24-15(20-21)12-5-4-8-25-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyRZMRBMMPXSYGGJ-UHFFFAOYSA-N
XLogP2.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 51111003) is 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)Cn1nc(-c3cccs3)oc1=O)C2.
What is the InChIKey of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is RZMRBMMPXSYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-17(2)11-6-7-18(17,3)13(9-11)19-14(22)10-21-16(23)24-15(20-21)12-5-4-8-25-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 51111003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).