N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C16H19N3O4 — CID 3674328

IUPACN-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C3CCCN3)n2)cc1OC
InChIInChI=1S/C16H19N3O4/c1-21-13-6-5-10(8-14(13)22-2)18-15(20)12-9-23-16(19-12)11-4-3-7-17-11/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyXNOSYIMYNUWXIO-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.37
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3674328) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3674328
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C3CCCN3)n2)cc1OC
InChIInChI=1S/C16H19N3O4/c1-21-13-6-5-10(8-14(13)22-2)18-15(20)12-9-23-16(19-12)11-4-3-7-17-11/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyXNOSYIMYNUWXIO-UHFFFAOYSA-N
XLogP2.37
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3674328) is N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2coc(C3CCCN3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XNOSYIMYNUWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-21-13-6-5-10(8-14(13)22-2)18-15(20)12-9-23-16(19-12)11-4-3-7-17-11/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).