2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C16H21N3O2 — CID 91829934

IUPAC2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(C2CCN2Cc2nnc(C(C)C)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)16-18-17-15(21-16)10-19-8-7-14(19)12-5-4-6-13(9-12)20-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyDUTRXURSOCMOKM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds5

About 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 91829934) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID91829934
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(C2CCN2Cc2nnc(C(C)C)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)16-18-17-15(21-16)10-19-8-7-14(19)12-5-4-6-13(9-12)20-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyDUTRXURSOCMOKM-UHFFFAOYSA-N
XLogP3.15
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 75369283
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77087919
3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55536440
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole
CID 91839644
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 91829934) is 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is COc1cccc(C2CCN2Cc2nnc(C(C)C)o2)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is DUTRXURSOCMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)16-18-17-15(21-16)10-19-8-7-14(19)12-5-4-6-13(9-12)20-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 91829934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).