[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone

C15H11FN4O2S — CID 29184365

IUPAC[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C15H11FN4O2S/c16-10-3-1-2-9(6-10)14-11-7-20(5-4-13(11)22-18-14)15(21)12-8-23-19-17-12/h1-3,6,8H,4-5,7H2
InChIKeyFAVGRLRITQHFCH-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.53
Rot. Bonds2

About [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone

[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone (PubChem CID 29184365) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
PubChem CID29184365
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C15H11FN4O2S/c16-10-3-1-2-9(6-10)14-11-7-20(5-4-13(11)22-18-14)15(21)12-8-23-19-17-12/h1-3,6,8H,4-5,7H2
InChIKeyFAVGRLRITQHFCH-UHFFFAOYSA-N
XLogP2.53
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 46970594
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 155985561
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 46972679
(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56878539
(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56744273
(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56760489
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039
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

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone (CID 29184365) is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is FAVGRLRITQHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c16-10-3-1-2-9(6-10)14-11-7-20(5-4-13(11)22-18-14)15(21)12-8-23-19-17-12/h1-3,6,8H,4-5,7H2.
What are the key properties of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 330.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 29184365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).