1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

C17H18ClFN4O4 — CID 91907345

IUPAC1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)no1
InChIInChI=1S/C17H18ClFN4O4/c1-26-9-15-21-14(22-27-15)4-5-20-17(25)10-6-16(24)23(8-10)11-2-3-13(19)12(18)7-11/h2-3,7,10H,4-6,8-9H2,1H3,(H,20,25)
InChIKeyPPJXMWKZPYAHMJ-UHFFFAOYSA-N
MW396.81 g/mol
LogP1.72
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 91907345) has the molecular formula C17H18ClFN4O4 and a molecular weight of 396.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID91907345
Molecular FormulaC17H18ClFN4O4
Molecular Weight396.81 g/mol
Exact Mass396.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)no1
InChIInChI=1S/C17H18ClFN4O4/c1-26-9-15-21-14(22-27-15)4-5-20-17(25)10-6-16(24)23(8-10)11-2-3-13(19)12(18)7-11/h2-3,7,10H,4-6,8-9H2,1H3,(H,20,25)
InChIKeyPPJXMWKZPYAHMJ-UHFFFAOYSA-N
XLogP1.72
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 91907345) is 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is COCc1nc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)no1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PPJXMWKZPYAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O4/c1-26-9-15-21-14(22-27-15)4-5-20-17(25)10-6-16(24)23(8-10)11-2-3-13(19)12(18)7-11/h2-3,7,10H,4-6,8-9H2,1H3,(H,20,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91907345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).