4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

C19H22N4O3 — CID 126417165

IUPAC4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O3/c1-11-17(23-26-22-11)19(25)20-10-15(24)21-18-14-9-5-8-13(14)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-14,16,18H,5,8-10H2,1H3,(H,20,25)(H,21,24)/t13-,14-,16+,18-/m1/s1
InChIKeyMHUKQJPRJAZPOK-AHEZYBDSSA-N
MW354.41 g/mol
LogP1.81
Rot. Bonds5

About 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 126417165) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID126417165
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O3/c1-11-17(23-26-22-11)19(25)20-10-15(24)21-18-14-9-5-8-13(14)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-14,16,18H,5,8-10H2,1H3,(H,20,25)(H,21,24)/t13-,14-,16+,18-/m1/s1
InChIKeyMHUKQJPRJAZPOK-AHEZYBDSSA-N
XLogP1.81
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 126417165) is 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MHUKQJPRJAZPOK-AHEZYBDSSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-17(23-26-22-11)19(25)20-10-15(24)21-18-14-9-5-8-13(14)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-14,16,18H,5,8-10H2,1H3,(H,20,25)(H,21,24)/t13-,14-,16+,18-/m1/s1.
What are the key properties of 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 126417165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).