2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide

C19H25N3O4 — CID 47862645

IUPAC2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C19H25N3O4/c1-12-16(13(2)26-21-12)11-20-19(23)22-9-5-6-17(22)15-8-7-14(24-3)10-18(15)25-4/h7-8,10,17H,5-6,9,11H2,1-4H3,(H,20,23)
InChIKeyQPXMAFCGMJZDDP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 47862645) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID47862645
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C19H25N3O4/c1-12-16(13(2)26-21-12)11-20-19(23)22-9-5-6-17(22)15-8-7-14(24-3)10-18(15)25-4/h7-8,10,17H,5-6,9,11H2,1-4H3,(H,20,23)
InChIKeyQPXMAFCGMJZDDP-UHFFFAOYSA-N
XLogP3.36
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
CID 60509738
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41323095
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41292877
2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 60547492
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
CID 60551262
N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60586832

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 47862645) is 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCc2c(C)noc2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is QPXMAFCGMJZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-16(13(2)26-21-12)11-20-19(23)22-9-5-6-17(22)15-8-7-14(24-3)10-18(15)25-4/h7-8,10,17H,5-6,9,11H2,1-4H3,(H,20,23).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47862645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).