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

C19H23N3O6 — CID 47729955

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3cc(C)on3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-11-5-13(21-28-11)9-20-19(24)12-6-17(23)22(10-12)14-7-15(25-2)18(27-4)16(8-14)26-3/h5,7-8,12H,6,9-10H2,1-4H3,(H,20,24)
InChIKeyUFXCGMMKIFJTLV-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.68
Rot. Bonds7

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 47729955) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID47729955
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3cc(C)on3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-11-5-13(21-28-11)9-20-19(24)12-6-17(23)22(10-12)14-7-15(25-2)18(27-4)16(8-14)26-3/h5,7-8,12H,6,9-10H2,1-4H3,(H,20,24)
InChIKeyUFXCGMMKIFJTLV-UHFFFAOYSA-N
XLogP1.68
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46417928
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120947786

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 47729955) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCc3cc(C)on3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UFXCGMMKIFJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-11-5-13(21-28-11)9-20-19(24)12-6-17(23)22(10-12)14-7-15(25-2)18(27-4)16(8-14)26-3/h5,7-8,12H,6,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 47729955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).