N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide

C24H29N3O3 — CID 86603578

IUPACN-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide
SMILESCCCCC[C@H](CN(C=O)OCc1ccccc1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C24H29N3O3/c1-2-3-6-15-22(17-27(19-28)29-18-21-13-9-5-10-14-21)24-26-25-23(30-24)16-20-11-7-4-8-12-20/h4-5,7-14,19,22H,2-3,6,15-18H2,1H3/t22-/m1/s1
InChIKeyIVTZHPMDXSGCHG-JOCHJYFZSA-N
MW407.51 g/mol
LogP4.91
Rot. Bonds13

About N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide

N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide (PubChem CID 86603578) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide
PubChem CID86603578
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide
SMILESCCCCC[C@H](CN(C=O)OCc1ccccc1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C24H29N3O3/c1-2-3-6-15-22(17-27(19-28)29-18-21-13-9-5-10-14-21)24-26-25-23(30-24)16-20-11-7-4-8-12-20/h4-5,7-14,19,22H,2-3,6,15-18H2,1H3/t22-/m1/s1
InChIKeyIVTZHPMDXSGCHG-JOCHJYFZSA-N
XLogP4.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
N-pentyl-N-phenylmethoxyformamide
CID 88956477
N-hydroxy-N-[(2S)-2-[5-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069652
N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide
CID 21078846
5-bromo-N-[[2-[[formyl(phenylmethoxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 118225866
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069632
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 110653325
tert-butyl N-(1,3-benzodioxol-4-yl)-N-[2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl-methylamino]carbamate
CID 87264337
N-[2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 11163828
N-[[[(2R)-2-[[formyl(phenylmethoxy)amino]methyl]heptanoyl]amino]methyl]-5-(6-methoxy-2-pyridinyl)furan-2-carboxamide
CID 118230838
N-[[formyl(phenylmethoxy)amino]methyl]decanamide
CID 54293810

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide (CID 86603578) is N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide is CCCCC[C@H](CN(C=O)OCc1ccccc1)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide?
The InChIKey is IVTZHPMDXSGCHG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-2-3-6-15-22(17-27(19-28)29-18-21-13-9-5-10-14-21)24-26-25-23(30-24)16-20-11-7-4-8-12-20/h4-5,7-14,19,22H,2-3,6,15-18H2,1H3/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide?
N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide has a molecular weight of 407.51 g/mol, XLogP of 4.91, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 86603578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).