[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone

C24H22FN7O3 — CID 170977756

IUPAC[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1nc2n(c1-c1ccccn1)CCOC2)N1CCC[C@H]1Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C24H22FN7O3/c25-15-6-7-18(27-13-15)23-29-20(35-30-23)12-16-4-3-9-31(16)24(33)21-22(17-5-1-2-8-26-17)32-10-11-34-14-19(32)28-21/h1-2,5-8,13,16H,3-4,9-12,14H2/t16-/m0/s1
InChIKeyXBKJQHGQNWRJJE-INIZCTEOSA-N
MW475.48 g/mol
LogP2.91
Rot. Bonds5

About [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone

[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone (PubChem CID 170977756) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
PubChem CID170977756
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1nc2n(c1-c1ccccn1)CCOC2)N1CCC[C@H]1Cc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C24H22FN7O3/c25-15-6-7-18(27-13-15)23-29-20(35-30-23)12-16-4-3-9-31(16)24(33)21-22(17-5-1-2-8-26-17)32-10-11-34-14-19(32)28-21/h1-2,5-8,13,16H,3-4,9-12,14H2/t16-/m0/s1
InChIKeyXBKJQHGQNWRJJE-INIZCTEOSA-N
XLogP2.91
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[[[(Z)-3-amino-3-pyridin-2-ylprop-2-enylidene]amino]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-5,6,7,9-tetrahydroimidazo[2,1-c][1,4]oxazepin-2-yl)methanone
CID 170977512
[(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azepan-1-yl]-(3-pyridin-2-yl-6H-pyrazolo[1,5-a]azepin-2-yl)methanone
CID 170978126
2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one
CID 170977784
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
(3R)-3-amino-4-(2-fluorophenyl)-1-[2-[[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 59651765
2-(2,4-difluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96580293
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
N-(1,3-benzothiazol-2-yl)-1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86982604
(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 143151309
(3R)-3-amino-4-(2-fluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 11689751
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 51949209

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The IUPAC name of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone (CID 170977756) is [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The canonical SMILES for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone is O=C(c1nc2n(c1-c1ccccn1)CCOC2)N1CCC[C@H]1Cc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The InChIKey is XBKJQHGQNWRJJE-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22FN7O3/c25-15-6-7-18(27-13-15)23-29-20(35-30-23)12-16-4-3-9-31(16)24(33)21-22(17-5-1-2-8-26-17)32-10-11-34-14-19(32)28-21/h1-2,5-8,13,16H,3-4,9-12,14H2/t16-/m0/s1.
What are the key properties of [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone has a molecular weight of 475.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone is sourced from PubChem (CID 170977756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).