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N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C16H17N3O4 — CID 50947725

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H17N3O4/c1-10-7-14(23-18-10)12-3-2-6-19(12)16(20)17-11-4-5-13-15(8-11)22-9-21-13/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,17,20)
InChIKeyYGQOAYDMZMWWMH-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.08
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 50947725) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID50947725
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H17N3O4/c1-10-7-14(23-18-10)12-3-2-6-19(12)16(20)17-11-4-5-13-15(8-11)22-9-21-13/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,17,20)
InChIKeyYGQOAYDMZMWWMH-UHFFFAOYSA-N
XLogP3.08
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 50947725) is N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)Nc2ccc3c(c2)OCO3)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YGQOAYDMZMWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-7-14(23-18-10)12-3-2-6-19(12)16(20)17-11-4-5-13-15(8-11)22-9-21-13/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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