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1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

C16H18ClFN4O3 — CID 156611313

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc(C2CN(Cc3cccc(Cl)c3F)CC2C(N)=O)n1
InChIInChI=1S/C16H18ClFN4O3/c1-24-8-13-20-16(25-21-13)11-7-22(6-10(11)15(19)23)5-9-3-2-4-12(17)14(9)18/h2-4,10-11H,5-8H2,1H3,(H2,19,23)
InChIKeyBBHRVJBEYQSLPQ-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.71
Rot. Bonds6

About 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 156611313) has the molecular formula C16H18ClFN4O3 and a molecular weight of 368.80 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID156611313
Molecular FormulaC16H18ClFN4O3
Molecular Weight368.80 g/mol
Exact Mass368.11
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc(C2CN(Cc3cccc(Cl)c3F)CC2C(N)=O)n1
InChIInChI=1S/C16H18ClFN4O3/c1-24-8-13-20-16(25-21-13)11-7-22(6-10(11)15(19)23)5-9-3-2-4-12(17)14(9)18/h2-4,10-11H,5-8H2,1H3,(H2,19,23)
InChIKeyBBHRVJBEYQSLPQ-UHFFFAOYSA-N
XLogP1.71
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (CID 156611313) is 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is COCc1noc(C2CN(Cc3cccc(Cl)c3F)CC2C(N)=O)n1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is BBHRVJBEYQSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O3/c1-24-8-13-20-16(25-21-13)11-7-22(6-10(11)15(19)23)5-9-3-2-4-12(17)14(9)18/h2-4,10-11H,5-8H2,1H3,(H2,19,23).
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 368.80 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 156611313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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