N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C13H21N3O3 — CID 133266460

IUPACN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cc(C)no1
InChIInChI=1S/C13H21N3O3/c1-4-18-12-8-16(3)7-11(12)14-13(17)6-10-5-9(2)15-19-10/h5,11-12H,4,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyQKVROEGHTZWXBC-VXGBXAGGSA-N
MW267.33 g/mol
LogP0.36
Rot. Bonds5

About N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 133266460) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID133266460
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cc(C)no1
InChIInChI=1S/C13H21N3O3/c1-4-18-12-8-16(3)7-11(12)14-13(17)6-10-5-9(2)15-19-10/h5,11-12H,4,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyQKVROEGHTZWXBC-VXGBXAGGSA-N
XLogP0.36
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131926128
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide
CID 133266960
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 118793940
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
N-(4-ethoxy-1-methylpyrrolidin-3-yl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 156609764
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
CID 146402134
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125161093
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 133266039
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
CID 99798346

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 133266460) is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is CCO[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cc(C)no1.
What is the InChIKey of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QKVROEGHTZWXBC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-18-12-8-16(3)7-11(12)14-13(17)6-10-5-9(2)15-19-10/h5,11-12H,4,6-8H2,1-3H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 133266460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).