2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole

C19H27N3O2 — CID 97003707

IUPAC2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1
InChIInChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3/t18-/m1/s1
InChIKeyHJCKINGZGJFRBY-GOSISDBHSA-N
MW329.44 g/mol
LogP4.03
Rot. Bonds6

About 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole

2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 97003707) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID97003707
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1
InChIInChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3/t18-/m1/s1
InChIKeyHJCKINGZGJFRBY-GOSISDBHSA-N
XLogP4.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 71846094
[3-methyl-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788406
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
2-methyl-5-[(3S)-2-[2-(4-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole
CID 52538083
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
2,3-bis[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]-1,4-dioxane
CID 3107301
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770
3-[2-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]benzonitrile
CID 52537876
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole (CID 97003707) is 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole is Cc1nnc([C@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1.
What is the InChIKey of 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is HJCKINGZGJFRBY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)17-8-7-16(12-14(17)3)23-11-10-22-9-5-6-18(22)19-21-20-15(4)24-19/h7-8,12-13,18H,5-6,9-11H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 329.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 97003707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).