5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C23H23N3O5 — CID 126468364

IUPAC5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-29-18-10-9-15(13-19(18)30-2)21-20(24-14-31-21)22(27)25-17-8-4-3-7-16(17)23(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,25,27)
InChIKeyNGEQMXOJNCBXBL-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.85
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 126468364) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID126468364
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-29-18-10-9-15(13-19(18)30-2)21-20(24-14-31-21)22(27)25-17-8-4-3-7-16(17)23(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,25,27)
InChIKeyNGEQMXOJNCBXBL-UHFFFAOYSA-N
XLogP3.85
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963848
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-(2-carbamoylphenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 175655098
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 6234232
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 126468364) is 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NGEQMXOJNCBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-18-10-9-15(13-19(18)30-2)21-20(24-14-31-21)22(27)25-17-8-4-3-7-16(17)23(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,25,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126468364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).