3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide

C21H21N3O3 — CID 56904815

IUPAC3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H21N3O3/c1-13-20(14(2)27-23-13)21(26)22-17-10-19(25)24(12-17)11-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17H,10-12H2,1-2H3,(H,22,26)
InChIKeyXPQUVOKCUIMPKN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.98
Rot. Bonds4

About 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 56904815) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID56904815
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H21N3O3/c1-13-20(14(2)27-23-13)21(26)22-17-10-19(25)24(12-17)11-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17H,10-12H2,1-2H3,(H,22,26)
InChIKeyXPQUVOKCUIMPKN-UHFFFAOYSA-N
XLogP2.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-5-propyl-1,2-oxazole-4-carboxamide
CID 95727197
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (CID 56904815) is 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is XPQUVOKCUIMPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-20(14(2)27-23-13)21(26)22-17-10-19(25)24(12-17)11-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17H,10-12H2,1-2H3,(H,22,26).
What are the key properties of 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56904815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).