3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

C19H22FN3O2 — CID 172637194

IUPAC3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESO=C1NC2CCCCC2CC1Cc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C19H22FN3O2/c20-15-7-3-1-5-12(15)10-17-22-23-18(25-17)11-14-9-13-6-2-4-8-16(13)21-19(14)24/h1,3,5,7,13-14,16H,2,4,6,8-11H2,(H,21,24)
InChIKeyBTGUMTSTMDVORF-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.04
Rot. Bonds4

About 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (PubChem CID 172637194) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
PubChem CID172637194
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESO=C1NC2CCCCC2CC1Cc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C19H22FN3O2/c20-15-7-3-1-5-12(15)10-17-22-23-18(25-17)11-14-9-13-6-2-4-8-16(13)21-19(14)24/h1,3,5,7,13-14,16H,2,4,6,8-11H2,(H,21,24)
InChIKeyBTGUMTSTMDVORF-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95228208
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
CID 63471632
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137227
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The IUPAC name of 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (CID 172637194) is 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is O=C1NC2CCCCC2CC1Cc1nnc(Cc2ccccc2F)o1.
What is the InChIKey of 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The InChIKey is BTGUMTSTMDVORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-7-3-1-5-12(15)10-17-22-23-18(25-17)11-14-9-13-6-2-4-8-16(13)21-19(14)24/h1,3,5,7,13-14,16H,2,4,6,8-11H2,(H,21,24).
What are the key properties of 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one has a molecular weight of 343.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is sourced from PubChem (CID 172637194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).