2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C19H26N4O3 — CID 118785471

IUPAC2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cccc(OCCN)c2)n1
InChIInChI=1S/C19H26N4O3/c1-13(2)18-21-19(26-22-18)16-7-4-9-23(16)17(24)12-14-5-3-6-15(11-14)25-10-8-20/h3,5-6,11,13,16H,4,7-10,12,20H2,1-2H3/t16-/m0/s1
InChIKeyIEPOEWFJPJBPSZ-INIZCTEOSA-N
MW358.44 g/mol
LogP2.44
Rot. Bonds7

About 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 118785471) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID118785471
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cccc(OCCN)c2)n1
InChIInChI=1S/C19H26N4O3/c1-13(2)18-21-19(26-22-18)16-7-4-9-23(16)17(24)12-14-5-3-6-15(11-14)25-10-8-20/h3,5-6,11,13,16H,4,7-10,12,20H2,1-2H3/t16-/m0/s1
InChIKeyIEPOEWFJPJBPSZ-INIZCTEOSA-N
XLogP2.44
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 72854515
2-[3-(2-aminoethoxy)phenyl]-1-[2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 118765592
(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 28980455
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96572309
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
1-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 125127150
2-(3-methylphenyl)-1-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91906354
2-(3-methylphenyl)-1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 98042119
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
CID 126770521
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
2-methyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
CID 156607088
4,6-dimethyl-1-[2-oxo-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 72871110

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 118785471) is 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cccc(OCCN)c2)n1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IEPOEWFJPJBPSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)18-21-19(26-22-18)16-7-4-9-23(16)17(24)12-14-5-3-6-15(11-14)25-10-8-20/h3,5-6,11,13,16H,4,7-10,12,20H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118785471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).