1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C18H22N2O5 — CID 120544803

IUPAC1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C18H22N2O5/c1-12-13(20-16(25-12)14-6-5-9-24-14)10-15(21)19-11-18(17(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyJQMIFIHTFIZERH-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.94
Rot. Bonds6

About 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544803) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544803
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C18H22N2O5/c1-12-13(20-16(25-12)14-6-5-9-24-14)10-15(21)19-11-18(17(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyJQMIFIHTFIZERH-UHFFFAOYSA-N
XLogP2.94
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484864
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544577
(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-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946480
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
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110631445
1-[[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543649
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-[3-[(1S)-1-methoxyethyl]phenyl]acetamide
CID 95321877
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 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544803) is 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1oc(-c2ccco2)nc1CC(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JQMIFIHTFIZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-13(20-16(25-12)14-6-5-9-24-14)10-15(21)19-11-18(17(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).