2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole

C19H24FN3O3 — CID 167795679

IUPAC2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(F)c(CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1
InChIInChI=1S/C19H24FN3O3/c1-19(18-22-21-17(26-18)13-5-7-25-8-6-13)11-23(12-19)10-14-9-15(24-2)3-4-16(14)20/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyDDUNCCNQLFZSLR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole

2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (PubChem CID 167795679) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
PubChem CID167795679
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(F)c(CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1
InChIInChI=1S/C19H24FN3O3/c1-19(18-22-21-17(26-18)13-5-7-25-8-6-13)11-23(12-19)10-14-9-15(24-2)3-4-16(14)20/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyDDUNCCNQLFZSLR-UHFFFAOYSA-N
XLogP2.88
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
[(3aR,7aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343266
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138807884
4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763677
4-[1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760213
(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
CID 95219686
4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one
CID 167909206
N-[(4S,5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 169411248
3-[(3R,4S)-4-(dimethylamino)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propan-1-ol
CID 72871275
1,2-difluoro-4-methoxybenzene;oxolane
CID 174837143

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (CID 167795679) is 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is COc1ccc(F)c(CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1.
What is the InChIKey of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is DDUNCCNQLFZSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-19(18-22-21-17(26-18)13-5-7-25-8-6-13)11-23(12-19)10-14-9-15(24-2)3-4-16(14)20/h3-4,9,13H,5-8,10-12H2,1-2H3.
What are the key properties of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 361.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylazetidin-3-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167795679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).