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

C28H25N3O3 — CID 134011702

IUPAC2-[(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
SMILESCc1nc(COc2ccccc2C(=O)NCC2CC3c4ccccc4C2c2ccccc23)no1
InChIInChI=1S/C28H25N3O3/c1-17-30-26(31-34-17)16-33-25-13-7-6-12-23(25)28(32)29-15-18-14-24-19-8-2-4-10-21(19)27(18)22-11-5-3-9-20(22)24/h2-13,18,24,27H,14-16H2,1H3,(H,29,32)
InChIKeyZRQZABQXLCVQSB-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.98
Rot. Bonds6

About 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

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 (PubChem CID 134011702) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID134011702
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name2-[(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
SMILESCc1nc(COc2ccccc2C(=O)NCC2CC3c4ccccc4C2c2ccccc23)no1
InChIInChI=1S/C28H25N3O3/c1-17-30-26(31-34-17)16-33-25-13-7-6-12-23(25)28(32)29-15-18-14-24-19-8-2-4-10-21(19)27(18)22-11-5-3-9-20(22)24/h2-13,18,24,27H,14-16H2,1H3,(H,29,32)
InChIKeyZRQZABQXLCVQSB-UHFFFAOYSA-N
XLogP4.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
CID 42939468
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46531672
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 37216371
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
CID 43038748

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(COc2ccccc2C(=O)NCC2CC3c4ccccc4C2c2ccccc23)no1.
What is the InChIKey of 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?
The InChIKey is ZRQZABQXLCVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-17-30-26(31-34-17)16-33-25-13-7-6-12-23(25)28(32)29-15-18-14-24-19-8-2-4-10-21(19)27(18)22-11-5-3-9-20(22)24/h2-13,18,24,27H,14-16H2,1H3,(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 451.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134011702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).