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

C14H16N4O2 — CID 63141616

IUPAC3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-c3nnco3)c2)CCNC1
InChIInChI=1S/C14H16N4O2/c1-14(5-6-15-8-14)13(19)17-11-4-2-3-10(7-11)12-18-16-9-20-12/h2-4,7,9,15H,5-6,8H2,1H3,(H,17,19)
InChIKeyVBLRHPHAWDKZLC-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.67
Rot. Bonds3

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

3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63141616) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63141616
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-c3nnco3)c2)CCNC1
InChIInChI=1S/C14H16N4O2/c1-14(5-6-15-8-14)13(19)17-11-4-2-3-10(7-11)12-18-16-9-20-12/h2-4,7,9,15H,5-6,8H2,1H3,(H,17,19)
InChIKeyVBLRHPHAWDKZLC-UHFFFAOYSA-N
XLogP1.67
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide (CID 63141616) is 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide is CC1(C(=O)Nc2cccc(-c3nnco3)c2)CCNC1.
What is the InChIKey of 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VBLRHPHAWDKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(5-6-15-8-14)13(19)17-11-4-2-3-10(7-11)12-18-16-9-20-12/h2-4,7,9,15H,5-6,8H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).