N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H20N4O4 — CID 98229547

IUPACN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ccccc1OCc1noc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C19H20N4O4/c20-17(24)14-3-1-2-4-15(14)26-10-16-22-19(27-23-16)18(25)21-9-13-8-11-5-6-12(13)7-11/h1-6,11-13H,7-10H2,(H2,20,24)(H,21,25)/t11-,12-,13+/m0/s1
InChIKeyXUUGJNMYPCPYOE-RWMBFGLXSA-N
MW368.39 g/mol
LogP1.69
Rot. Bonds7

About N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 98229547) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID98229547
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1ccccc1OCc1noc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C19H20N4O4/c20-17(24)14-3-1-2-4-15(14)26-10-16-22-19(27-23-16)18(25)21-9-13-8-11-5-6-12(13)7-11/h1-6,11-13H,7-10H2,(H2,20,24)(H,21,25)/t11-,12-,13+/m0/s1
InChIKeyXUUGJNMYPCPYOE-RWMBFGLXSA-N
XLogP1.69
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98223366
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495123
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649348
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 134011702
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
benzyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylmethoxybenzoate
CID 118543138
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 98229547) is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1ccccc1OCc1noc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1.
What is the InChIKey of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XUUGJNMYPCPYOE-RWMBFGLXSA-N. The full InChI is InChI=1S/C19H20N4O4/c20-17(24)14-3-1-2-4-15(14)26-10-16-22-19(27-23-16)18(25)21-9-13-8-11-5-6-12(13)7-11/h1-6,11-13H,7-10H2,(H2,20,24)(H,21,25)/t11-,12-,13+/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 98229547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).