1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C18H22N4O4 — CID 70707211

IUPAC1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1=O
InChIInChI=1S/C18H22N4O4/c1-21(18(24)14-8-17(23)22(11-14)6-7-25-2)12-15-9-16(20-26-15)13-4-3-5-19-10-13/h3-5,9-10,14H,6-8,11-12H2,1-2H3
InChIKeyUREUQHHHYMEPPZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.19
Rot. Bonds7

About 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 70707211) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID70707211
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1=O
InChIInChI=1S/C18H22N4O4/c1-21(18(24)14-8-17(23)22(11-14)6-7-25-2)12-15-9-16(20-26-15)13-4-3-5-19-10-13/h3-5,9-10,14H,6-8,11-12H2,1-2H3
InChIKeyUREUQHHHYMEPPZ-UHFFFAOYSA-N
XLogP1.19
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 70707211) is 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is UREUQHHHYMEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21(18(24)14-8-17(23)22(11-14)6-7-25-2)12-15-9-16(20-26-15)13-4-3-5-19-10-13/h3-5,9-10,14H,6-8,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70707211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).