N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C23H27N3O3S — CID 26743102

IUPACN-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1)NCc1ccco1
InChIInChI=1S/C23H27N3O3S/c27-23(25-15-20-5-4-10-28-20)12-17-8-9-24-14-18(17)11-19-13-21(29-26-19)16-30-22-6-2-1-3-7-22/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27)/t17-,18-/m0/s1
InChIKeyNLRVIXCFDDCVAJ-ROUUACIJSA-N
MW425.55 g/mol
LogP4.03
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26743102) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26743102
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1)NCc1ccco1
InChIInChI=1S/C23H27N3O3S/c27-23(25-15-20-5-4-10-28-20)12-17-8-9-24-14-18(17)11-19-13-21(29-26-19)16-30-22-6-2-1-3-7-22/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27)/t17-,18-/m0/s1
InChIKeyNLRVIXCFDDCVAJ-ROUUACIJSA-N
XLogP4.03
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 74506182
N-(3-hydroxyphenyl)-2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 74506178
2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26743116
1-(4-benzylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 163096776
N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162978112
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162796753
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162796815
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
2-[(3S,4S)-3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 162804200

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26743102) is N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is NLRVIXCFDDCVAJ-ROUUACIJSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-23(25-15-20-5-4-10-28-20)12-17-8-9-24-14-18(17)11-19-13-21(29-26-19)16-30-22-6-2-1-3-7-22/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27)/t17-,18-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26743102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).