azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

C18H23FN2O2 — CID 45233150

IUPACazocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCCCCCC1
InChIInChI=1S/C18H23FN2O2/c19-15-8-6-14(7-9-15)12-16-13-17(23-20-16)18(22)21-10-4-2-1-3-5-11-21/h6-9,17H,1-5,10-13H2
InChIKeyYBLZAFDTPIZYJM-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.31
Rot. Bonds3

About azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 45233150) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID45233150
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Nameazocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCCCCCC1
InChIInChI=1S/C18H23FN2O2/c19-15-8-6-14(7-9-15)12-16-13-17(23-20-16)18(22)21-10-4-2-1-3-5-11-21/h6-9,17H,1-5,10-13H2
InChIKeyYBLZAFDTPIZYJM-UHFFFAOYSA-N
XLogP3.31
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42467929
[1-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45194186
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42342881
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42342875
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 42189037
(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 45222468
[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 26325624
[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45179390
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19493432
[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 42461995
3-[(4-fluorophenyl)methyl]-N-(2-pyrazin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45207968
3-[(4-fluorophenyl)methyl]-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45189006

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 45233150) is azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is YBLZAFDTPIZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-8-6-14(7-9-15)12-16-13-17(23-20-16)18(22)21-10-4-2-1-3-5-11-21/h6-9,17H,1-5,10-13H2.
What are the key properties of azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone?
azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 318.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 45233150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).