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

C22H21N3O4 — CID 126468353

IUPAC5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H21N3O4/c1-28-18-11-5-3-9-16(18)20-19(23-14-29-20)21(26)24-17-10-4-2-8-15(17)22(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,26)
InChIKeyMWOHDFFGQLJHBI-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.84
Rot. Bonds5

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

5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 126468353) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID126468353
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H21N3O4/c1-28-18-11-5-3-9-16(18)20-19(23-14-29-20)21(26)24-17-10-4-2-8-15(17)22(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,26)
InChIKeyMWOHDFFGQLJHBI-UHFFFAOYSA-N
XLogP3.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364
N-(2-carbamoylphenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 175655098
N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122853
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
5-(2-methoxyphenyl)-N-(2-methyl-5-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 16675701
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46616223

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 126468353) is 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is COc1ccccc1-c1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MWOHDFFGQLJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-18-11-5-3-9-16(18)20-19(23-14-29-20)21(26)24-17-10-4-2-8-15(17)22(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,26).
What are the key properties of 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126468353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).