N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C21H22FN5O3 — CID 46970429

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccn2)no1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C21H22FN5O3/c22-16-14-15(7-8-18(16)27-10-12-29-13-11-27)24-19(28)5-3-6-20-25-21(26-30-20)17-4-1-2-9-23-17/h1-2,4,7-9,14H,3,5-6,10-13H2,(H,24,28)
InChIKeyJZEUUNSREJBKEV-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.07
Rot. Bonds7

About N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 46970429) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID46970429
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccn2)no1)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C21H22FN5O3/c22-16-14-15(7-8-18(16)27-10-12-29-13-11-27)24-19(28)5-3-6-20-25-21(26-30-20)17-4-1-2-9-23-17/h1-2,4,7-9,14H,3,5-6,10-13H2,(H,24,28)
InChIKeyJZEUUNSREJBKEV-UHFFFAOYSA-N
XLogP3.07
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
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N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55857526
N-[3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 38856002
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 46970429) is N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2ccccn2)no1)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is JZEUUNSREJBKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c22-16-14-15(7-8-18(16)27-10-12-29-13-11-27)24-19(28)5-3-6-20-25-21(26-30-20)17-4-1-2-9-23-17/h1-2,4,7-9,14H,3,5-6,10-13H2,(H,24,28).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 411.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 46970429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).