2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole

C14H14N6O2 — CID 11066448

IUPAC2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C23N=NC(c4nnc(C)o4)([C@@H]4C[C@@H]42)[C@H]2C[C@H]23)o1
InChIInChI=1S/C14H14N6O2/c1-5-15-17-11(21-5)13-7-3-9(7)14(20-19-13,10-4-8(10)13)12-18-16-6(2)22-12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-,13?,14?
InChIKeyRZJAPMPRMZGVTQ-XZQMURHDSA-N
MW298.31 g/mol
LogP1.91
Rot. Bonds2

About 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole

2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole (PubChem CID 11066448) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole
PubChem CID11066448
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C23N=NC(c4nnc(C)o4)([C@@H]4C[C@@H]42)[C@H]2C[C@H]23)o1
InChIInChI=1S/C14H14N6O2/c1-5-15-17-11(21-5)13-7-3-9(7)14(20-19-13,10-4-8(10)13)12-18-16-6(2)22-12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-,13?,14?
InChIKeyRZJAPMPRMZGVTQ-XZQMURHDSA-N
XLogP1.91
TPSA102.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole (CID 11066448) is 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole is Cc1nnc(C23N=NC(c4nnc(C)o4)([C@@H]4C[C@@H]42)[C@H]2C[C@H]23)o1.
What is the InChIKey of 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole?
The InChIKey is RZJAPMPRMZGVTQ-XZQMURHDSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-5-15-17-11(21-5)13-7-3-9(7)14(20-19-13,10-4-8(10)13)12-18-16-6(2)22-12/h7-10H,3-4H2,1-2H3/t7-,8+,9+,10-,13?,14?.
What are the key properties of 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole?
2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole has a molecular weight of 298.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R,4S,6R,8S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-en-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 11066448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).