N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C21H22FN3O3S — CID 55957237

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)cc1F
InChIInChI=1S/C21H22FN3O3S/c1-27-18-5-4-14(11-16(18)22)13-25-8-6-15(7-9-25)23-21(26)17-12-19(28-24-17)20-3-2-10-29-20/h2-5,10-12,15H,6-9,13H2,1H3,(H,23,26)
InChIKeyDOJUXVPOUAMCFO-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55957237) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55957237
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)cc1F
InChIInChI=1S/C21H22FN3O3S/c1-27-18-5-4-14(11-16(18)22)13-25-8-6-15(7-9-25)23-21(26)17-12-19(28-24-17)20-3-2-10-29-20/h2-5,10-12,15H,6-9,13H2,1H3,(H,23,26)
InChIKeyDOJUXVPOUAMCFO-UHFFFAOYSA-N
XLogP3.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 55957230
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55958775
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
1-benzyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55836832
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55958899
5-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55957736

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55957237) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DOJUXVPOUAMCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-27-18-5-4-14(11-16(18)22)13-25-8-6-15(7-9-25)23-21(26)17-12-19(28-24-17)20-3-2-10-29-20/h2-5,10-12,15H,6-9,13H2,1H3,(H,23,26).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55957237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).