2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide

C18H15FN2O2 — CID 51092558

IUPAC2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCc2cc(F)ccc21
InChIInChI=1S/C18H15FN2O2/c19-12-6-7-13-11(9-12)5-8-15(13)20-18(22)10-16-14-3-1-2-4-17(14)23-21-16/h1-4,6-7,9,15H,5,8,10H2,(H,20,22)
InChIKeyXHGANKYEJOANCT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.31
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 51092558) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID51092558
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCc2cc(F)ccc21
InChIInChI=1S/C18H15FN2O2/c19-12-6-7-13-11(9-12)5-8-15(13)20-18(22)10-16-14-3-1-2-4-17(14)23-21-16/h1-4,6-7,9,15H,5,8,10H2,(H,20,22)
InChIKeyXHGANKYEJOANCT-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
CID 99608651
2-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 126778051
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
3-cyclopropyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-5-carboxamide
CID 119037715
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119745340
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 95795877
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide (CID 51092558) is 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide is O=C(Cc1noc2ccccc12)NC1CCc2cc(F)ccc21.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is XHGANKYEJOANCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-12-6-7-13-11(9-12)5-8-15(13)20-18(22)10-16-14-3-1-2-4-17(14)23-21-16/h1-4,6-7,9,15H,5,8,10H2,(H,20,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 51092558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).