N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide

C18H23FN4O2 — CID 95813244

IUPACN-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C18H23FN4O2/c1-13(24)20-8-2-3-9-23-10-7-17-16(12-23)18(22-25-17)21-15-6-4-5-14(19)11-15/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyUUWOJFHZZLYVLI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.83
Rot. Bonds7

About N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide

N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide (PubChem CID 95813244) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide
PubChem CID95813244
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C18H23FN4O2/c1-13(24)20-8-2-3-9-23-10-7-17-16(12-23)18(22-25-17)21-15-6-4-5-14(19)11-15/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyUUWOJFHZZLYVLI-UHFFFAOYSA-N
XLogP2.83
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 95813211
N-(3-fluorophenyl)-5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 92556298
N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 92611385
N-(3-fluorophenyl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 110239650
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
2-[4-[[3-(3-methoxyanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 92600090
1-(3-fluorophenyl)-3-[4-[4-(6-methylthieno[2,3-d][1,2]oxazol-3-yl)piperidin-1-yl]butyl]urea
CID 59121878
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 56745598
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide?
The IUPAC name of N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide (CID 95813244) is N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide?
The canonical SMILES for N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide is CC(=O)NCCCCN1CCc2onc(Nc3cccc(F)c3)c2C1.
What is the InChIKey of N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide?
The InChIKey is UUWOJFHZZLYVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(24)20-8-2-3-9-23-10-7-17-16(12-23)18(22-25-17)21-15-6-4-5-14(19)11-15/h4-6,11H,2-3,7-10,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide?
N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide is sourced from PubChem (CID 95813244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).