5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C16H18N4O3 — CID 29085707

IUPAC5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H18N4O3/c1-11-15(18-10-23-11)16(22)20(8-12-3-2-6-17-7-12)9-13-4-5-14(21)19-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyWBWAYLJDXURCFT-ZDUSSCGKSA-N
MW314.34 g/mol
LogP1.30
Rot. Bonds5

About 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 29085707) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID29085707
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H18N4O3/c1-11-15(18-10-23-11)16(22)20(8-12-3-2-6-17-7-12)9-13-4-5-14(21)19-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyWBWAYLJDXURCFT-ZDUSSCGKSA-N
XLogP1.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

(2S,4R)-4-fluoro-1-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165138730
(2S,4R)-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165139462
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoro-1-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140537
ALP-POS-95f71980-10
CID 156906389
ALP-POS-95f71980-34
CID 156906405
ALP-POS-ced8ea4d-13
CID 156906591
ALP-POS-ced8ea4d-22
CID 156906599
ALP-POS-ced8ea4d-26
CID 156906603
ALP-POS-ced8ea4d-27
CID 156906604
ALP-POS-ced8ea4d-28
CID 156906605
ALP-POS-ced8ea4d-31
CID 156906608
ALP-POS-ced8ea4d-41
CID 156906616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 29085707) is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WBWAYLJDXURCFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-15(18-10-23-11)16(22)20(8-12-3-2-6-17-7-12)9-13-4-5-14(21)19-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 29085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).