N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide

C16H18N4O4 — CID 29137353

IUPACN-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N4O4/c1-11(21)17-12-4-6-13(7-5-12)23-10-14-18-15(24-19-14)16(22)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H,17,21)
InChIKeyUZHFISYWFCACFT-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.84
Rot. Bonds5

About N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide

N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide (PubChem CID 29137353) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
PubChem CID29137353
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N4O4/c1-11(21)17-12-4-6-13(7-5-12)23-10-14-18-15(24-19-14)16(22)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H,17,21)
InChIKeyUZHFISYWFCACFT-UHFFFAOYSA-N
XLogP1.84
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide (CID 29137353) is N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCC3)n2)cc1.
What is the InChIKey of N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The InChIKey is UZHFISYWFCACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11(21)17-12-4-6-13(7-5-12)23-10-14-18-15(24-19-14)16(22)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H,17,21).
What are the key properties of N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 29137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).