(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide

C17H21FN4O4 — CID 97284024

IUPAC(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
SMILESCCc1nc(C[C@@H]2CN(C(=O)Nc3ccc(F)c(OC)c3)CCO2)no1
InChIInChI=1S/C17H21FN4O4/c1-3-16-20-15(21-26-16)9-12-10-22(6-7-25-12)17(23)19-11-4-5-13(18)14(8-11)24-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyGFNIFFDSWVZRBI-GFCCVEGCSA-N
MW364.38 g/mol
LogP2.26
Rot. Bonds5

About (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide

(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 97284024) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
PubChem CID97284024
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
SMILESCCc1nc(C[C@@H]2CN(C(=O)Nc3ccc(F)c(OC)c3)CCO2)no1
InChIInChI=1S/C17H21FN4O4/c1-3-16-20-15(21-26-16)9-12-10-22(6-7-25-12)17(23)19-11-4-5-13(18)14(8-11)24-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyGFNIFFDSWVZRBI-GFCCVEGCSA-N
XLogP2.26
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97272782
(2R)-N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97276864
N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 72886432
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
N-(3,4-dimethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780215
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide
CID 136555038
(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 126447140
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide (CID 97284024) is (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide is CCc1nc(C[C@@H]2CN(C(=O)Nc3ccc(F)c(OC)c3)CCO2)no1.
What is the InChIKey of (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is GFNIFFDSWVZRBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-3-16-20-15(21-26-16)9-12-10-22(6-7-25-12)17(23)19-11-4-5-13(18)14(8-11)24-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide?
(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 97284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).