[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone

C20H21FN2O3 — CID 166306652

IUPAC[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(O)(c2cccnc2)C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H21FN2O3/c21-17-5-3-15(4-6-17)19(7-10-26-11-8-19)18(24)23-13-20(25,14-23)16-2-1-9-22-12-16/h1-6,9,12,25H,7-8,10-11,13-14H2
InChIKeyUTYRPYJVJZJBKN-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.00
Rot. Bonds3

About [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone

[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 166306652) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID166306652
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(N1CC(O)(c2cccnc2)C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H21FN2O3/c21-17-5-3-15(4-6-17)19(7-10-26-11-8-19)18(24)23-13-20(25,14-23)16-2-1-9-22-12-16/h1-6,9,12,25H,7-8,10-11,13-14H2
InChIKeyUTYRPYJVJZJBKN-UHFFFAOYSA-N
XLogP2.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
4-(4-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]oxane-4-carboxamide
CID 60582658
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72848121
(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347595
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
2-chloro-1-[4-(4-fluorophenyl)oxan-4-yl]ethanone
CID 20628028
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone (CID 166306652) is [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone is O=C(N1CC(O)(c2cccnc2)C1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is UTYRPYJVJZJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-5-3-15(4-6-17)19(7-10-26-11-8-19)18(24)23-13-20(25,14-23)16-2-1-9-22-12-16/h1-6,9,12,25H,7-8,10-11,13-14H2.
What are the key properties of [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone?
[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 166306652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).