3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane

C28H40F2N2O4 — CID 142936055

IUPAC3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane
SMILESCCC.CCc1oc(-c2ccc(C(C)(F)F)cc2)nc1COCC1CCCC(C(=O)NCC(C)=O)C1
InChIInChI=1S/C25H32F2N2O4.C3H8/c1-4-22-21(29-24(33-22)18-8-10-20(11-9-18)25(3,26)27)15-32-14-17-6-5-7-19(12-17)23(31)28-13-16(2)30;1-3-2/h8-11,17,19H,4-7,12-15H2,1-3H3,(H,28,31);3H2,1-2H3
InChIKeyIBJNNSDUCUOTEE-UHFFFAOYSA-N
MW506.63 g/mol
LogP6.46
Rot. Bonds10

About 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane

3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane (PubChem CID 142936055) has the molecular formula C28H40F2N2O4 and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane.

Molecular Properties

Compound Name3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane
PubChem CID142936055
Molecular FormulaC28H40F2N2O4
Molecular Weight506.63 g/mol
Exact Mass506.30
IUPAC Name3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane
SMILESCCC.CCc1oc(-c2ccc(C(C)(F)F)cc2)nc1COCC1CCCC(C(=O)NCC(C)=O)C1
InChIInChI=1S/C25H32F2N2O4.C3H8/c1-4-22-21(29-24(33-22)18-8-10-20(11-9-18)25(3,26)27)15-32-14-17-6-5-7-19(12-17)23(31)28-13-16(2)30;1-3-2/h8-11,17,19H,4-7,12-15H2,1-3H3,(H,28,31);3H2,1-2H3
InChIKeyIBJNNSDUCUOTEE-UHFFFAOYSA-N
XLogP6.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.63
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[[3-[[2-(4-propan-2-ylphenyl)-5-propyl-1,3-oxazol-4-yl]methoxymethyl]cyclohexanecarbonyl]amino]butanoic acid
CID 142936067
[2-[[(1S,3R)-3-[[5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoyl]oxidanium
CID 143181913
5-ethyl-4-(iodomethyl)-2-naphthalen-2-yl-1,3-oxazole;2-[[(1R,3S)-3-[(5-ethyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69021677
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
2-methyl-2-[[(1S,3R)-3-[[5-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 162581985
(2S)-3-methyl-2-[[3-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexanecarbonyl]amino]butanoic acid
CID 10391116
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 67214865
2-[[3-[[5-cyclohexyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 58934249
2-[[(1R,3S)-3-[[5-ethyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpentanoic acid
CID 58951535
2-[[(1R,3S)-3-[[5-ethyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpentanoic acid
CID 58951533
4-iodo-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-oxazole;2-methyl-2-[[(1S,3R)-3-[[5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 158628884
2-methyl-2-[[(1R,3S)-3-[(2-naphthalen-2-yl-5-propan-2-yl-1,3-oxazol-4-yl)methoxymethyl]cyclohexyl]methoxy]propanoic acid
CID 11518603

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane?
The IUPAC name of 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane (CID 142936055) is 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane.
What is the SMILES notation for 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane?
The canonical SMILES for 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane is CCC.CCc1oc(-c2ccc(C(C)(F)F)cc2)nc1COCC1CCCC(C(=O)NCC(C)=O)C1.
What is the InChIKey of 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane?
The InChIKey is IBJNNSDUCUOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O4.C3H8/c1-4-22-21(29-24(33-22)18-8-10-20(11-9-18)25(3,26)27)15-32-14-17-6-5-7-19(12-17)23(31)28-13-16(2)30;1-3-2/h8-11,17,19H,4-7,12-15H2,1-3H3,(H,28,31);3H2,1-2H3.
What are the key properties of 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane?
3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane has a molecular weight of 506.63 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(1,1-difluoroethyl)phenyl]-5-ethyl-1,3-oxazol-4-yl]methoxymethyl]-N-(2-oxopropyl)cyclohexane-1-carboxamide;propane is sourced from PubChem (CID 142936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).