N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

C16H19FN4O2 — CID 120838741

IUPACN-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(-c2noc(CCNC(=O)C3CCCN3)n2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-10-9-11(4-5-12(10)17)15-20-14(23-21-15)6-8-19-16(22)13-3-2-7-18-13/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,22)
InChIKeyCSNLDXXGYDKUEB-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.59
Rot. Bonds5

About N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 120838741) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID120838741
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(-c2noc(CCNC(=O)C3CCCN3)n2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-10-9-11(4-5-12(10)17)15-20-14(23-21-15)6-8-19-16(22)13-3-2-7-18-13/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,22)
InChIKeyCSNLDXXGYDKUEB-UHFFFAOYSA-N
XLogP1.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195
3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371734
N-[2-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120838788
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
CID 120839869
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
N-(3-aminopropyl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
N-[2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837646
N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (CID 120838741) is N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is Cc1cc(-c2noc(CCNC(=O)C3CCCN3)n2)ccc1F.
What is the InChIKey of N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CSNLDXXGYDKUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-9-11(4-5-12(10)17)15-20-14(23-21-15)6-8-19-16(22)13-3-2-7-18-13/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,19,22).
What are the key properties of N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120838741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).