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

C19H18N4O3 — CID 42461278

IUPAC4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H18N4O3/c1-12-18(22-26-21-12)19(25)20-15-9-17(24)23(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-11H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyANGIDCWOQOYASS-HNNXBMFYSA-N
MW350.38 g/mol
LogP2.06
Rot. Bonds4

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

4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 42461278) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID42461278
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H18N4O3/c1-12-18(22-26-21-12)19(25)20-15-9-17(24)23(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-11H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyANGIDCWOQOYASS-HNNXBMFYSA-N
XLogP2.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide (CID 42461278) is 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ANGIDCWOQOYASS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-18(22-26-21-12)19(25)20-15-9-17(24)23(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-11H2,1H3,(H,20,25)/t15-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 42461278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).