2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide

C16H20N2O4S — CID 111484864

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1(O)CCSCC1
InChIInChI=1S/C16H20N2O4S/c1-11-12(18-15(22-11)13-3-2-6-21-13)9-14(19)17-10-16(20)4-7-23-8-5-16/h2-3,6,20H,4-5,7-10H2,1H3,(H,17,19)
InChIKeyBCWMWNMDJQNPEW-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484864) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484864
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1(O)CCSCC1
InChIInChI=1S/C16H20N2O4S/c1-11-12(18-15(22-11)13-3-2-6-21-13)9-14(19)17-10-16(20)4-7-23-8-5-16/h2-3,6,20H,4-5,7-10H2,1H3,(H,17,19)
InChIKeyBCWMWNMDJQNPEW-UHFFFAOYSA-N
XLogP2.16
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946480
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 96548574
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119447492
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119393013
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 126790370
2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 111597345
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484864) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide is Cc1oc(-c2ccco2)nc1CC(=O)NCC1(O)CCSCC1.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is BCWMWNMDJQNPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-12(18-15(22-11)13-3-2-6-21-13)9-14(19)17-10-16(20)4-7-23-8-5-16/h2-3,6,20H,4-5,7-10H2,1H3,(H,17,19).
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).