2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide

C20H27N3O4 — CID 92732400

IUPAC2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(N)=O
InChIInChI=1S/C20H27N3O4/c1-4-25-18-10-15(7-8-17(18)26-12-19(21)24)11-23-9-5-6-16(23)20-13(2)22-27-14(20)3/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,21,24)/t16-/m1/s1
InChIKeySDIYJCGSCRKTTH-MRXNPFEDSA-N
MW373.45 g/mol
LogP2.89
Rot. Bonds8

About 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide

2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide (PubChem CID 92732400) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
PubChem CID92732400
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(N)=O
InChIInChI=1S/C20H27N3O4/c1-4-25-18-10-15(7-8-17(18)26-12-19(21)24)11-23-9-5-6-16(23)20-13(2)22-27-14(20)3/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,21,24)/t16-/m1/s1
InChIKeySDIYJCGSCRKTTH-MRXNPFEDSA-N
XLogP2.89
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
5-[(2R)-1-[(3-ethoxy-4-propoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 93070186
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
CID 51500695
N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 77080114
5-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056291
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide (CID 92732400) is 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide?
The InChIKey is SDIYJCGSCRKTTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-25-18-10-15(7-8-17(18)26-12-19(21)24)11-23-9-5-6-16(23)20-13(2)22-27-14(20)3/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,21,24)/t16-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide?
2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 373.45 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 92732400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).