2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

C19H20N4O3 — CID 74241509

IUPAC2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1nnc(-c2ccc(C)c(NC(=O)N3CCCC3c3ccco3)c2)o1
InChIInChI=1S/C19H20N4O3/c1-12-7-8-14(18-22-21-13(2)26-18)11-15(12)20-19(24)23-9-3-5-16(23)17-6-4-10-25-17/h4,6-8,10-11,16H,3,5,9H2,1-2H3,(H,20,24)
InChIKeyHQTJMDKDSJIGLB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.32
Rot. Bonds3

About 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 74241509) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID74241509
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1nnc(-c2ccc(C)c(NC(=O)N3CCCC3c3ccco3)c2)o1
InChIInChI=1S/C19H20N4O3/c1-12-7-8-14(18-22-21-13(2)26-18)11-15(12)20-19(24)23-9-3-5-16(23)17-6-4-10-25-17/h4,6-8,10-11,16H,3,5,9H2,1-2H3,(H,20,24)
InChIKeyHQTJMDKDSJIGLB-UHFFFAOYSA-N
XLogP4.32
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 74241509) is 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is Cc1nnc(-c2ccc(C)c(NC(=O)N3CCCC3c3ccco3)c2)o1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is HQTJMDKDSJIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-7-8-14(18-22-21-13(2)26-18)11-15(12)20-19(24)23-9-3-5-16(23)17-6-4-10-25-17/h4,6-8,10-11,16H,3,5,9H2,1-2H3,(H,20,24).
What are the key properties of 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 74241509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).