4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane

C16H22FNO2 — CID 45239153

IUPAC4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
SMILESFc1cccc(C2(CN3CCCOCC3)CCOC2)c1
InChIInChI=1S/C16H22FNO2/c17-15-4-1-3-14(11-15)16(5-9-20-13-16)12-18-6-2-8-19-10-7-18/h1,3-4,11H,2,5-10,12-13H2
InChIKeyZBDCVDQUUUMDKB-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.21
Rot. Bonds3

About 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane

4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane (PubChem CID 45239153) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
PubChem CID45239153
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
SMILESFc1cccc(C2(CN3CCCOCC3)CCOC2)c1
InChIInChI=1S/C16H22FNO2/c17-15-4-1-3-14(11-15)16(5-9-20-13-16)12-18-6-2-8-19-10-7-18/h1,3-4,11H,2,5-10,12-13H2
InChIKeyZBDCVDQUUUMDKB-UHFFFAOYSA-N
XLogP2.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane with MolForge

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Related Compounds

1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 30705120
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63154710
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 45240615
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
1-ethyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111188469
1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 45173361
[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97077217
[1-(3-fluorophenyl)cyclobutyl]-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929508
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
CID 146039195

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane?
The IUPAC name of 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane (CID 45239153) is 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane?
The canonical SMILES for 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane is Fc1cccc(C2(CN3CCCOCC3)CCOC2)c1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane?
The InChIKey is ZBDCVDQUUUMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-15-4-1-3-14(11-15)16(5-9-20-13-16)12-18-6-2-8-19-10-7-18/h1,3-4,11H,2,5-10,12-13H2.
What are the key properties of 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane?
4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane has a molecular weight of 279.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane is sourced from PubChem (CID 45239153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).