(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C19H17F2N3O2 — CID 24984711

IUPAC(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)co2)C1
InChIInChI=1S/C19H17F2N3O2/c20-14-5-3-12(4-6-14)19(25)24-7-1-2-13(10-24)18-23-17(11-26-18)16-8-15(21)9-22-16/h3-6,8-9,11,13,22H,1-2,7,10H2/t13-/m0/s1
InChIKeyCBRGTMURHNBUOP-ZDUSSCGKSA-N
MW357.36 g/mol
LogP3.97
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 24984711) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID24984711
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)co2)C1
InChIInChI=1S/C19H17F2N3O2/c20-14-5-3-12(4-6-14)19(25)24-7-1-2-13(10-24)18-23-17(11-26-18)16-8-15(21)9-22-16/h3-6,8-9,11,13,22H,1-2,7,10H2/t13-/m0/s1
InChIKeyCBRGTMURHNBUOP-ZDUSSCGKSA-N
XLogP3.97
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59556423
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
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(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
3-[1-(4-fluorobenzoyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801096
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 24984711) is (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)co2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is CBRGTMURHNBUOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-14-5-3-12(4-6-14)19(25)24-7-1-2-13(10-24)18-23-17(11-26-18)16-8-15(21)9-22-16/h3-6,8-9,11,13,22H,1-2,7,10H2/t13-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[4-(4-fluoro-1H-pyrrol-2-yl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24984711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).