N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C21H19FN2O3 — CID 71887483

IUPACN-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NC1CCCOc2ccc(F)cc21
InChIInChI=1S/C21H19FN2O3/c22-15-8-9-19-17(11-15)18(7-4-10-26-19)24-20(25)12-16-13-27-21(23-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,24,25)
InChIKeyYJXAFZYELHNOOV-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.05
Rot. Bonds4

About N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 71887483) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID71887483
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)NC1CCCOc2ccc(F)cc21
InChIInChI=1S/C21H19FN2O3/c22-15-8-9-19-17(11-15)18(7-4-10-26-19)24-20(25)12-16-13-27-21(23-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,24,25)
InChIKeyYJXAFZYELHNOOV-UHFFFAOYSA-N
XLogP4.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51273832
2-(1,3-dioxoisoindol-2-yl)-N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 94486393
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55580756
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55900351
2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480639
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661
(E)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)but-2-enamide
CID 110477991
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329
(3R)-N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 94486404

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 71887483) is N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2ccccc2)n1)NC1CCCOc2ccc(F)cc21.
What is the InChIKey of N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is YJXAFZYELHNOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-15-8-9-19-17(11-15)18(7-4-10-26-19)24-20(25)12-16-13-27-21(23-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,24,25).
What are the key properties of N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 366.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 71887483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).