5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C23H23N3O5 — CID 24791014

IUPAC5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C23H23N3O5/c1-29-20-5-2-3-6-21(20)30-15-18-13-19(25-31-18)23(28)24-14-16-8-10-17(11-9-16)26-12-4-7-22(26)27/h2-3,5-6,8-11,13H,4,7,12,14-15H2,1H3,(H,24,28)
InChIKeyFYPRFZNJWNAGLB-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.32
Rot. Bonds8

About 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791014) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791014
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)no1
InChIInChI=1S/C23H23N3O5/c1-29-20-5-2-3-6-21(20)30-15-18-13-19(25-31-18)23(28)24-14-16-8-10-17(11-9-16)26-12-4-7-22(26)27/h2-3,5-6,8-11,13H,4,7,12,14-15H2,1H3,(H,24,28)
InChIKeyFYPRFZNJWNAGLB-UHFFFAOYSA-N
XLogP3.32
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
1-({5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-methyl-4-phenylpiperazine
CID 24794246
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1251518
5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazole-3-carboxamide
CID 3236665
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 3238493
4-({5-[(2,6-Difluorophenoxy)methyl]isoxazol-3-yl}carbonyl)-1-methyl-2-phenylpiperazine
CID 16188379
5-[(2,6-difluorophenoxy)methyl]-N-(3-methoxybenzyl)-N-methylisoxazole-3-carboxamide
CID 16190913
N-(1-benzylpyrrolidin-3-yl)-5-[(2,4-difluorophenoxy)methyl]isoxazole-3-carboxamide
CID 16191250
5-[(2,6-difluorophenoxy)methyl]-N-(3-methoxybenzyl)-3-isoxazolecarboxamide
CID 16191321

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 24791014) is 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide is COc1ccccc1OCc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)no1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FYPRFZNJWNAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-20-5-2-3-6-21(20)30-15-18-13-19(25-31-18)23(28)24-14-16-8-10-17(11-9-16)26-12-4-7-22(26)27/h2-3,5-6,8-11,13H,4,7,12,14-15H2,1H3,(H,24,28).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).