2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C27H23FN4O6 — CID 136632544

IUPAC2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C27H23FN4O6/c28-22-9-6-18(15-21(22)26(35)32-10-12-37-13-11-32)17-2-1-3-19(14-17)23(33)25(34)29-20-7-4-16(5-8-20)24-30-27(36)38-31-24/h1-9,14-15,23,33H,10-13H2,(H,29,34)(H,30,31,36)
InChIKeySJLXQEMCVPUBLG-UHFFFAOYSA-N
MW518.50 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 136632544) has the molecular formula C27H23FN4O6 and a molecular weight of 518.50 g/mol. Its IUPAC name is 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID136632544
Molecular FormulaC27H23FN4O6
Molecular Weight518.50 g/mol
Exact Mass518.16
IUPAC Name2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C27H23FN4O6/c28-22-9-6-18(15-21(22)26(35)32-10-12-37-13-11-32)17-2-1-3-19(14-17)23(33)25(34)29-20-7-4-16(5-8-20)24-30-27(36)38-31-24/h1-9,14-15,23,33H,10-13H2,(H,29,34)(H,30,31,36)
InChIKeySJLXQEMCVPUBLG-UHFFFAOYSA-N
XLogP2.98
TPSA137.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.50
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 136629988
N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide
CID 71229782
tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate
CID 122534917
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136612275
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 166355791
2-fluoro-5-[2-[1-hydroxy-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]-N,N-dimethylbenzamide
CID 136657458
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[1-[4-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 137037502
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 136707450
2-[3-[(2R)-2-[(1R)-1-acetyloxy-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 136625641
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 136632544) is 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide is O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is SJLXQEMCVPUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O6/c28-22-9-6-18(15-21(22)26(35)32-10-12-37-13-11-32)17-2-1-3-19(14-17)23(33)25(34)29-20-7-4-16(5-8-20)24-30-27(36)38-31-24/h1-9,14-15,23,33H,10-13H2,(H,29,34)(H,30,31,36).
What are the key properties of 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 518.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 136632544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).