N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C18H17N3O2 — CID 97113053

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCc1ccc2nonc2c1
InChIInChI=1S/C18H17N3O2/c22-18(10-14-7-6-13-3-1-2-4-15(13)14)19-11-12-5-8-16-17(9-12)21-23-20-16/h1-5,8-9,14H,6-7,10-11H2,(H,19,22)/t14-/m0/s1
InChIKeyUGLBVDWSFHSKNI-AWEZNQCLSA-N
MW307.35 g/mol
LogP2.96
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 97113053) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID97113053
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCc1ccc2nonc2c1
InChIInChI=1S/C18H17N3O2/c22-18(10-14-7-6-13-3-1-2-4-15(13)14)19-11-12-5-8-16-17(9-12)21-23-20-16/h1-5,8-9,14H,6-7,10-11H2,(H,19,22)/t14-/m0/s1
InChIKeyUGLBVDWSFHSKNI-AWEZNQCLSA-N
XLogP2.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
2-(2,3-dihydro-1H-inden-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72882863
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 24881783
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 97114693

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 97113053) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(C[C@@H]1CCc2ccccc21)NCc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is UGLBVDWSFHSKNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(10-14-7-6-13-3-1-2-4-15(13)14)19-11-12-5-8-16-17(9-12)21-23-20-16/h1-5,8-9,14H,6-7,10-11H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 97113053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).