N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide

C20H17ClFN3O3S — CID 46948198

IUPACN-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCCN2C(=O)c2cccs2)on1
InChIInChI=1S/C20H17ClFN3O3S/c21-13-10-12(6-7-14(13)22)23-19(26)15-11-17(28-24-15)16-4-1-2-8-25(16)20(27)18-5-3-9-29-18/h3,5-7,9-11,16H,1-2,4,8H2,(H,23,26)
InChIKeyWOBHNCHEGQWWDM-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.15
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46948198) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID46948198
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCCN2C(=O)c2cccs2)on1
InChIInChI=1S/C20H17ClFN3O3S/c21-13-10-12(6-7-14(13)22)23-19(26)15-11-17(28-24-15)16-4-1-2-8-25(16)20(27)18-5-3-9-29-18/h3,5-7,9-11,16H,1-2,4,8H2,(H,23,26)
InChIKeyWOBHNCHEGQWWDM-UHFFFAOYSA-N
XLogP5.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 46948575
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079928
5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide
CID 46944221
[2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]azepan-1-yl]-thiophen-2-ylmethanone
CID 110214505
N-(4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072187
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
2-(3-chloro-4-fluoroanilino)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 26508346
(2R)-N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7262196
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide (CID 46948198) is N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CCCCN2C(=O)c2cccs2)on1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is WOBHNCHEGQWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c21-13-10-12(6-7-14(13)22)23-19(26)15-11-17(28-24-15)16-4-1-2-8-25(16)20(27)18-5-3-9-29-18/h3,5-7,9-11,16H,1-2,4,8H2,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 433.89 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46948198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).