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

C16H19FN4O3 — CID 71989743

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCO1
InChIInChI=1S/C16H19FN4O3/c1-10-9-21(6-7-23-10)16(22)18-11(2)15-19-14(20-24-15)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,22)
InChIKeyMFQNYGAXRUNZDA-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.37
Rot. Bonds3

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

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide (PubChem CID 71989743) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
PubChem CID71989743
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCO1
InChIInChI=1S/C16H19FN4O3/c1-10-9-21(6-7-23-10)16(22)18-11(2)15-19-14(20-24-15)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,22)
InChIKeyMFQNYGAXRUNZDA-UHFFFAOYSA-N
XLogP2.37
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119817198
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119342761
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122006706
(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
CID 94337405
3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 167186052
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 119047290
1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide
CID 167186083
4-(4-hydroxybutyl)-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
CID 125436245

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide (CID 71989743) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide is CC1CN(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCO1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is MFQNYGAXRUNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-10-9-21(6-7-23-10)16(22)18-11(2)15-19-14(20-24-15)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,22).
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71989743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).