(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C20H27N3O3 — CID 156611425

IUPAC(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC1c1nc(C)no1
InChIInChI=1S/C20H27N3O3/c1-13-21-18(26-22-13)17-11-23(10-15(17)12-25-5)19(24)14-6-8-16(9-7-14)20(2,3)4/h6-9,15,17H,10-12H2,1-5H3
InChIKeyNUYARZSYCSHBLL-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.18
Rot. Bonds4

About (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 156611425) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID156611425
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC1c1nc(C)no1
InChIInChI=1S/C20H27N3O3/c1-13-21-18(26-22-13)17-11-23(10-15(17)12-25-5)19(24)14-6-8-16(9-7-14)20(2,3)4/h6-9,15,17H,10-12H2,1-5H3
InChIKeyNUYARZSYCSHBLL-UHFFFAOYSA-N
XLogP3.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110203009
[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 156611367
(4-methoxyphenyl)-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 87051849
(4-methoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 156601842
methyl 4-[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 100756690
1,3-benzodioxol-5-yl-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110202926
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110203015
methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate
CID 124760977
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
1-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 110202971
(3-methoxy-1-methylpyrazol-4-yl)-[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 129417679

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 156611425) is (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is COCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC1c1nc(C)no1.
What is the InChIKey of (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NUYARZSYCSHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-21-18(26-22-13)17-11-23(10-15(17)12-25-5)19(24)14-6-8-16(9-7-14)20(2,3)4/h6-9,15,17H,10-12H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 156611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).