[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C17H16FN3O2 — CID 123328484

IUPAC[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H16FN3O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16/h1-3,6,9-11,19H,4-5,7-8H2
InChIKeyOOWWUDSVVIXSHR-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.31
Rot. Bonds2

About [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 123328484) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID123328484
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H16FN3O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16/h1-3,6,9-11,19H,4-5,7-8H2
InChIKeyOOWWUDSVVIXSHR-UHFFFAOYSA-N
XLogP3.31
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 127682709
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 123328484) is [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is OOWWUDSVVIXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16/h1-3,6,9-11,19H,4-5,7-8H2.
What are the key properties of [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 313.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 123328484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).