2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]

C19H22FN3O — CID 23042858

IUPAC2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CCC1CC1(CN=C(c3cn(C)c4ccc(F)cc34)O1)C2
InChIInChI=1S/C19H22FN3O/c1-22-10-16(15-7-12(20)3-6-17(15)22)18-21-11-19(24-18)8-13-4-5-14(9-19)23(13)2/h3,6-7,10,13-14H,4-5,8-9,11H2,1-2H3
InChIKeyYGXRXOAQMRQTHN-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.09
Rot. Bonds1

About 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]

2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 23042858) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
PubChem CID23042858
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CCC1CC1(CN=C(c3cn(C)c4ccc(F)cc34)O1)C2
InChIInChI=1S/C19H22FN3O/c1-22-10-16(15-7-12(20)3-6-17(15)22)18-21-11-19(24-18)8-13-4-5-14(9-19)23(13)2/h3,6-7,10,13-14H,4-5,8-9,11H2,1-2H3
InChIKeyYGXRXOAQMRQTHN-UHFFFAOYSA-N
XLogP3.09
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] with MolForge

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Related Compounds

8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane];dihydrochloride
CID 70373491
1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol;hydrate;trihydrochloride
CID 70373578
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
CID 15176165
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
cyclobutyl-(5-fluoro-1-methylindol-3-yl)methanamine
CID 82278982
3-(5-fluoro-1-methylindol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 115108431
3-(1-benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
4-(1-cyclohexyl-5-fluoroindol-3-yl)-3-(5-fluoro-1-methylindol-3-yl)-1H-1,2,4-triazol-5-one
CID 142029456
6-fluoro-7-(5-fluoro-1-methylindol-3-yl)imidazo[1,5-a]pyridine
CID 167816867
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (CID 23042858) is 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is CN1C2CCC1CC1(CN=C(c3cn(C)c4ccc(F)cc34)O1)C2.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is YGXRXOAQMRQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-22-10-16(15-7-12(20)3-6-17(15)22)18-21-11-19(24-18)8-13-4-5-14(9-19)23(13)2/h3,6-7,10,13-14H,4-5,8-9,11H2,1-2H3.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 327.40 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)-8'-methylspiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 23042858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).