N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C16H18N4O3 — CID 72902153

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C16H18N4O3/c1-19(11-14-4-7-23-18-14)16(22)13-8-15(21)20(10-13)9-12-2-5-17-6-3-12/h2-7,13H,8-11H2,1H3
InChIKeyAJROBPJGHFAKJU-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72902153) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72902153
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C16H18N4O3/c1-19(11-14-4-7-23-18-14)16(22)13-8-15(21)20(10-13)9-12-2-5-17-6-3-12/h2-7,13H,8-11H2,1H3
InChIKeyAJROBPJGHFAKJU-UHFFFAOYSA-N
XLogP1.08
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 72902153) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1ccon1)C(=O)C1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is AJROBPJGHFAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19(11-14-4-7-23-18-14)16(22)13-8-15(21)20(10-13)9-12-2-5-17-6-3-12/h2-7,13H,8-11H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72902153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).