5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C18H23N3O4S — CID 45172464

IUPAC5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCSCc1ccc(C(=O)N2CCCC(CNC(=O)c3cc(C)on3)C2)o1
InChIInChI=1S/C18H23N3O4S/c1-12-8-15(20-25-12)17(22)19-9-13-4-3-7-21(10-13)18(23)16-6-5-14(24-16)11-26-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyFBXYJCLEMIGSMQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.72
Rot. Bonds6

About 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 45172464) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID45172464
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCSCc1ccc(C(=O)N2CCCC(CNC(=O)c3cc(C)on3)C2)o1
InChIInChI=1S/C18H23N3O4S/c1-12-8-15(20-25-12)17(22)19-9-13-4-3-7-21(10-13)18(23)16-6-5-14(24-16)11-26-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyFBXYJCLEMIGSMQ-UHFFFAOYSA-N
XLogP2.72
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271451
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70720168
5-methyl-N-[[(3S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42190921
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 45172464) is 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is CSCc1ccc(C(=O)N2CCCC(CNC(=O)c3cc(C)on3)C2)o1.
What is the InChIKey of 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FBXYJCLEMIGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-8-15(20-25-12)17(22)19-9-13-4-3-7-21(10-13)18(23)16-6-5-14(24-16)11-26-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22).
What are the key properties of 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45172464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).