1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide

C20H19N3O6 — CID 110608206

IUPAC1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2=O)cc1OC
InChIInChI=1S/C20H19N3O6/c1-27-15-6-4-13(9-17(15)28-2)23-10-11(7-18(23)24)19(25)21-12-3-5-14-16(8-12)29-20(26)22-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWVVGKBVXFJEXFZ-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.13
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide

1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 110608206) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
PubChem CID110608206
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2=O)cc1OC
InChIInChI=1S/C20H19N3O6/c1-27-15-6-4-13(9-17(15)28-2)23-10-11(7-18(23)24)19(25)21-12-3-5-14-16(8-12)29-20(26)22-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWVVGKBVXFJEXFZ-UHFFFAOYSA-N
XLogP2.13
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933943
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55620201
methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46478090
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
1-(3,4-dimethoxyphenyl)-5-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 46578301
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-(3,4-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46538978
methyl 3-[2-[3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]ethynyl]benzoate
CID 46569344

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide (CID 110608206) is 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is WVVGKBVXFJEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-27-15-6-4-13(9-17(15)28-2)23-10-11(7-18(23)24)19(25)21-12-3-5-14-16(8-12)29-20(26)22-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110608206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).