1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

C26H34N2O6 — CID 10389985

IUPAC1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1oc(-c2cccc(OC)c2)nc1COC1CCCC(C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C26H34N2O6/c1-3-22-21(27-24(34-22)18-9-7-10-19(15-18)32-2)16-33-20-11-6-8-17(14-20)23(29)28-26(25(30)31)12-4-5-13-26/h7,9-10,15,17,20H,3-6,8,11-14,16H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyPNUHYNRZOOFTQZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.50
Rot. Bonds9

About 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 10389985) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID10389985
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1oc(-c2cccc(OC)c2)nc1COC1CCCC(C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C26H34N2O6/c1-3-22-21(27-24(34-22)18-9-7-10-19(15-18)32-2)16-33-20-11-6-8-17(14-20)23(29)28-26(25(30)31)12-4-5-13-26/h7,9-10,15,17,20H,3-6,8,11-14,16H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyPNUHYNRZOOFTQZ-UHFFFAOYSA-N
XLogP4.50
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 67214865
2-[[(1R,3S)-3-[[2-(3-methoxyphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
CID 58781016
2-ethoxy-3-[(1R,3S)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxypropanoic acid;4-(iodomethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 68880983
3-[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-methoxypropanoic acid
CID 59659289
3-[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-methoxypropanoic acid;hydroiodide
CID 172695402
5-[2-[(1S,3S)-3-[[2-(3-methoxyphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]ethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 87602800
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole;3-[(1R,3S)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-(2-methylpropoxy)propanoic acid
CID 68880366
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
methyl 3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexane-1-carboxylate
CID 58934129
(2S)-3-methyl-2-[[(1S,3R)-3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]butanoic acid
CID 69316912
2-methyl-2-[[3-[[5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934130
2-ethoxy-3-[(1R,3S)-3-[[5-ethyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxypropanoic acid
CID 59659175

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 10389985) is 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is CCc1oc(-c2cccc(OC)c2)nc1COC1CCCC(C(=O)NC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PNUHYNRZOOFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-3-22-21(27-24(34-22)18-9-7-10-19(15-18)32-2)16-33-20-11-6-8-17(14-20)23(29)28-26(25(30)31)12-4-5-13-26/h7,9-10,15,17,20H,3-6,8,11-14,16H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 470.57 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[5-ethyl-2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10389985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).