4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide

C66H80F3N9O15S — CID 159856970

IUPAC4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCC(C(F)(F)F)CC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCCCC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sccc1C
InChIInChI=1S/C23H28F3N3O5.C22H29N3O5.C21H23N3O5S/c1-4-27-22(33)19-18(28-21(32)12-5-7-13(8-6-12)23(24,25)26)20(34-29-19)15-9-14(11(2)3)16(30)10-17(15)31;1-4-23-22(29)19-18(24-21(28)13-8-6-5-7-9-13)20(30-25-19)15-10-14(12(2)3)16(26)11-17(15)27;1-5-22-20(27)17-16(23-21(28)19-11(4)6-7-30-19)18(29-24-17)13-8-12(10(2)3)14(25)9-15(13)26/h9-13,30-31H,4-8H2,1-3H3,(H,27,33)(H,28,32);10-13,26-27H,4-9H2,1-3H3,(H,23,29)(H,24,28);6-10,25-26H,5H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyNQQOKNNBLFFMOJ-UHFFFAOYSA-N
MW1328.47 g/mol
LogP13.33
Rot. Bonds18

About 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide

4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide (PubChem CID 159856970) has the molecular formula C66H80F3N9O15S and a molecular weight of 1328.47 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide
PubChem CID159856970
Molecular FormulaC66H80F3N9O15S
Molecular Weight1328.47 g/mol
Exact Mass1327.54
IUPAC Name4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCC(C(F)(F)F)CC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCCCC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sccc1C
InChIInChI=1S/C23H28F3N3O5.C22H29N3O5.C21H23N3O5S/c1-4-27-22(33)19-18(28-21(32)12-5-7-13(8-6-12)23(24,25)26)20(34-29-19)15-9-14(11(2)3)16(30)10-17(15)31;1-4-23-22(29)19-18(24-21(28)13-8-6-5-7-9-13)20(30-25-19)15-10-14(12(2)3)16(26)11-17(15)27;1-5-22-20(27)17-16(23-21(28)19-11(4)6-7-30-19)18(29-24-17)13-8-12(10(2)3)14(25)9-15(13)26/h9-13,30-31H,4-8H2,1-3H3,(H,27,33)(H,28,32);10-13,26-27H,4-9H2,1-3H3,(H,23,29)(H,24,28);6-10,25-26H,5H2,1-4H3,(H,22,27)(H,23,28)
InChIKeyNQQOKNNBLFFMOJ-UHFFFAOYSA-N
XLogP13.33
TPSA374.07 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001328.47
LogP ≤ 513.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(iodomethyl)-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide
CID 147495811
[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazol-3-yl] N-ethylcarbamate
CID 136970089
4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 135895337
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167677624
N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
CID 145160092
ethyl 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)-2-[4-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]phenyl]acetate
CID 145426464
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
1-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-3-yl]butan-1-one
CID 160685278
N-ethyl-5-(4-hydroxy-2-nitroso-5-propan-2-ylphenyl)-4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 137255278
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 90496727
disodium;[2-[3-(ethylcarbamoyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazol-5-yl]-5-hydroxy-4-propan-2-ylphenyl] phosphate
CID 136612956

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide (CID 159856970) is 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCC(C(F)(F)F)CC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCCCC1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sccc1C.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide?
The InChIKey is NQQOKNNBLFFMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O5.C22H29N3O5.C21H23N3O5S/c1-4-27-22(33)19-18(28-21(32)12-5-7-13(8-6-12)23(24,25)26)20(34-29-19)15-9-14(11(2)3)16(30)10-17(15)31;1-4-23-22(29)19-18(24-21(28)13-8-6-5-7-9-13)20(30-25-19)15-10-14(12(2)3)16(26)11-17(15)27;1-5-22-20(27)17-16(23-21(28)19-11(4)6-7-30-19)18(29-24-17)13-8-12(10(2)3)14(25)9-15(13)26/h9-13,30-31H,4-8H2,1-3H3,(H,27,33)(H,28,32);10-13,26-27H,4-9H2,1-3H3,(H,23,29)(H,24,28);6-10,25-26H,5H2,1-4H3,(H,22,27)(H,23,28).
What are the key properties of 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide?
4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide has a molecular weight of 1328.47 g/mol, XLogP of 13.33, 18 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[(3-methylthiophene-2-carbonyl)amino]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159856970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).