2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide

C19H24FN3O3 — CID 95724836

IUPAC2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide
SMILESCc1nc(CN2CCC[C@](O)(CNC(=O)c3ccccc3F)CC2)co1
InChIInChI=1S/C19H24FN3O3/c1-14-22-15(12-26-14)11-23-9-4-7-19(25,8-10-23)13-21-18(24)16-5-2-3-6-17(16)20/h2-3,5-6,12,25H,4,7-11,13H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyPKPNTFSWTSTTEN-LJQANCHMSA-N
MW361.42 g/mol
LogP2.27
Rot. Bonds5

About 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide

2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide (PubChem CID 95724836) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide
PubChem CID95724836
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide
SMILESCc1nc(CN2CCC[C@](O)(CNC(=O)c3ccccc3F)CC2)co1
InChIInChI=1S/C19H24FN3O3/c1-14-22-15(12-26-14)11-23-9-4-7-19(25,8-10-23)13-21-18(24)16-5-2-3-6-17(16)20/h2-3,5-6,12,25H,4,7-11,13H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyPKPNTFSWTSTTEN-LJQANCHMSA-N
XLogP2.27
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-ol
CID 155991435
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 125011518
2-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 38471102
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761726
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide (CID 95724836) is 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide is Cc1nc(CN2CCC[C@](O)(CNC(=O)c3ccccc3F)CC2)co1.
What is the InChIKey of 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide?
The InChIKey is PKPNTFSWTSTTEN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-14-22-15(12-26-14)11-23-9-4-7-19(25,8-10-23)13-21-18(24)16-5-2-3-6-17(16)20/h2-3,5-6,12,25H,4,7-11,13H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide?
2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide has a molecular weight of 361.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[(4R)-4-hydroxy-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-yl]methyl]benzamide is sourced from PubChem (CID 95724836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).