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

C21H21FN4O2 — CID 95813211

IUPACN-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1
InChIInChI=1S/C21H21FN4O2/c1-14(27)23-17-6-2-4-15(10-17)12-26-9-8-20-19(13-26)21(25-28-20)24-18-7-3-5-16(22)11-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIKXDPJFIJCNTBG-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.07
Rot. Bonds5

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

N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide (PubChem CID 95813211) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide
PubChem CID95813211
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1
InChIInChI=1S/C21H21FN4O2/c1-14(27)23-17-6-2-4-15(10-17)12-26-9-8-20-19(13-26)21(25-28-20)24-18-7-3-5-16(22)11-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIKXDPJFIJCNTBG-UHFFFAOYSA-N
XLogP4.07
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]butyl]acetamide
CID 95813244
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
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
2-[4-[[3-(3-methoxyanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 92600090
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
CID 50969575
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
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide (CID 95813211) is N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c1.
What is the InChIKey of N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide?
The InChIKey is IKXDPJFIJCNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(27)23-17-6-2-4-15(10-17)12-26-9-8-20-19(13-26)21(25-28-20)24-18-7-3-5-16(22)11-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide?
N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-fluoroanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 95813211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).