N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C21H21FN4O3 — CID 87025846

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1
InChIInChI=1S/C21H21FN4O3/c1-14-24-21(29-25-14)17-5-3-16(4-6-17)20(27)23-13-15-2-7-19(18(22)12-15)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyRRINVVKCZOHEOP-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.95
Rot. Bonds5

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 87025846) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID87025846
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1
InChIInChI=1S/C21H21FN4O3/c1-14-24-21(29-25-14)17-5-3-16(4-6-17)20(27)23-13-15-2-7-19(18(22)12-15)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyRRINVVKCZOHEOP-UHFFFAOYSA-N
XLogP2.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75420777
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179
1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 75404860
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 71890376
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232301
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
4-[[[N-ethyl-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111872999
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 87025846) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is RRINVVKCZOHEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14-24-21(29-25-14)17-5-3-16(4-6-17)20(27)23-13-15-2-7-19(18(22)12-15)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27).
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 87025846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).