5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide

C34H44N4O4 — CID 162698784

About 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide

5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 162698784) has the molecular formula C34H44N4O4 and a molecular weight of 572.75 g/mol. Its IUPAC name is 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 162698784
• Molecular Formula: C34H44N4O4
• Molecular Weight: 572.75 g/mol
• Exact Mass: 572.34
• IUPAC Name: 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
• SMILES: CNC(=O)c1nnc([C@@]2(C)CC[C@]3(C)CC[C@]4(C)[C@H](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)o1
• InChI: InChI=1S/C34H44N4O4/c1-29(2)22-9-10-33(6)23(32(22,5)16-19(18-35)25(29)40)15-21(39)24-20-17-31(4,28-38-37-27(42-28)26(41)36-8)12-11-30(20,3)13-14-34(24,33)7/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,36,41)/t20-,22-,24-,30+,31-,32-,33+,34+/m0/s1
• InChIKey: WJXFABSTIPQNCS-OWXNBAMESA-N
• XLogP: 5.90
• TPSA: 125.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.75
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (CID 162698784) is 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is CNC(=O)c1nnc([C@@]2(C)CC[C@]3(C)CC[C@]4(C)[C@H](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)o1.

What is the InChIKey of 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is WJXFABSTIPQNCS-OWXNBAMESA-N. The full InChI is InChI=1S/C34H44N4O4/c1-29(2)22-9-10-33(6)23(32(22,5)16-19(18-35)25(29)40)15-21(39)24-20-17-31(4,28-38-37-27(42-28)26(41)36-8)12-11-30(20,3)13-14-34(24,33)7/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,36,41)/t20-,22-,24-,30+,31-,32-,33+,34+/m0/s1.

What are the key properties of 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?

5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 572.75 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-2-yl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 162698784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).