N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide

C16H21N3O4 — CID 124853248

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)COC[C@@H]1CCCCO1
InChIInChI=1S/C16H21N3O4/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3/t13-/m0/s1
InChIKeyVQRCCYZZNBLFAF-ZDUSSCGKSA-N
MW319.36 g/mol
LogP1.77
Rot. Bonds6

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide (PubChem CID 124853248) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
PubChem CID124853248
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)COC[C@@H]1CCCCO1
InChIInChI=1S/C16H21N3O4/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3/t13-/m0/s1
InChIKeyVQRCCYZZNBLFAF-ZDUSSCGKSA-N
XLogP1.77
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide with MolForge

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124749409
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
CID 118774253
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
CID 74249390

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide (CID 124853248) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide is CN(Cc1ccc2nonc2c1)C(=O)COC[C@@H]1CCCCO1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The InChIKey is VQRCCYZZNBLFAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide has a molecular weight of 319.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).