2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile

C24H22N2O2 — CID 24760295

IUPAC2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile
SMILESN#CCc1ccc(OC2CN(Cc3ccc(Oc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C24H22N2O2/c25-15-14-19-6-10-23(11-7-19)28-24-17-26(18-24)16-20-8-12-22(13-9-20)27-21-4-2-1-3-5-21/h1-13,24H,14,16-18H2
InChIKeyDXMKHDTUDOYTJB-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.81
Rot. Bonds7

About 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile

2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile (PubChem CID 24760295) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile
PubChem CID24760295
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile
SMILESN#CCc1ccc(OC2CN(Cc3ccc(Oc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C24H22N2O2/c25-15-14-19-6-10-23(11-7-19)28-24-17-26(18-24)16-20-8-12-22(13-9-20)27-21-4-2-1-3-5-21/h1-13,24H,14,16-18H2
InChIKeyDXMKHDTUDOYTJB-UHFFFAOYSA-N
XLogP4.81
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropyloxyphenyl)acetonitrile
CID 84766439
2-[(3-phenoxyazetidin-1-yl)methyl]benzonitrile
CID 77078575
3-[6-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxy-3-pyridinyl]benzonitrile
CID 24760517
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine
CID 143554276
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
2-methylsulfanyl-5-[4-[1-[(6-phenoxy-3-pyridinyl)methyl]azetidin-3-yl]oxyphenyl]pyridine
CID 143554266
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
5-(5-methylsulfinyl-2-pyridinyl)-2-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine;hydrate
CID 143554227
2-[4-(3,4-dimethylcyclohexyl)oxyphenyl]acetonitrile
CID 64739371
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
4-[(4-chlorophenyl)methyl]-6-phenoxy-1,4-oxazepane
CID 162808656

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile (CID 24760295) is 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile is N#CCc1ccc(OC2CN(Cc3ccc(Oc4ccccc4)cc3)C2)cc1.
What is the InChIKey of 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile?
The InChIKey is DXMKHDTUDOYTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-15-14-19-6-10-23(11-7-19)28-24-17-26(18-24)16-20-8-12-22(13-9-20)27-21-4-2-1-3-5-21/h1-13,24H,14,16-18H2.
What are the key properties of 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile?
2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile has a molecular weight of 370.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxyphenyl]acetonitrile is sourced from PubChem (CID 24760295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).