N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C18H21N3O4 — CID 47001119

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C18H21N3O4/c1-2-12-10-16(25-20-12)14-4-3-7-21(14)18(22)19-13-5-6-15-17(11-13)24-9-8-23-15/h5-6,10-11,14H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyWUVYVLHUDGIFGJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.38
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001119) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001119
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)on1
InChIInChI=1S/C18H21N3O4/c1-2-12-10-16(25-20-12)14-4-3-7-21(14)18(22)19-13-5-6-15-17(11-13)24-9-8-23-15/h5-6,10-11,14H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyWUVYVLHUDGIFGJ-UHFFFAOYSA-N
XLogP3.38
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001119) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)on1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is WUVYVLHUDGIFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-12-10-16(25-20-12)14-4-3-7-21(14)18(22)19-13-5-6-15-17(11-13)24-9-8-23-15/h5-6,10-11,14H,2-4,7-9H2,1H3,(H,19,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).