N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C20H17N3O5 — CID 102562828

IUPACN-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2ocnc12)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H17N3O5/c24-18-8-12(20(25)22-14-2-1-3-16-19(14)21-11-28-16)10-23(18)13-4-5-15-17(9-13)27-7-6-26-15/h1-5,9,11-12H,6-8,10H2,(H,22,25)
InChIKeyXZBGUPBXAGFIFN-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.59
Rot. Bonds3

About N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 102562828) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID102562828
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2ocnc12)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H17N3O5/c24-18-8-12(20(25)22-14-2-1-3-16-19(14)21-11-28-16)10-23(18)13-4-5-15-17(9-13)27-7-6-26-15/h1-5,9,11-12H,6-8,10H2,(H,22,25)
InChIKeyXZBGUPBXAGFIFN-UHFFFAOYSA-N
XLogP2.59
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119422136
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18206709
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 42654321
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7718778
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 154765760
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55700523

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 102562828) is N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc2ocnc12)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XZBGUPBXAGFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c24-18-8-12(20(25)22-14-2-1-3-16-19(14)21-11-28-16)10-23(18)13-4-5-15-17(9-13)27-7-6-26-15/h1-5,9,11-12H,6-8,10H2,(H,22,25).
What are the key properties of N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 102562828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).