[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C22H26F2N2O4 — CID 24602320

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC1CCC(N(C)C(=O)COC(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C22H26F2N2O4/c1-14-6-8-15(9-7-14)26(2)20(27)13-29-21(28)11-10-19-25-12-18(30-19)22-16(23)4-3-5-17(22)24/h3-5,12,14-15H,6-11,13H2,1-2H3
InChIKeyCAFYGGSGXBOERI-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.13
Rot. Bonds7

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 24602320) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID24602320
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC1CCC(N(C)C(=O)COC(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C22H26F2N2O4/c1-14-6-8-15(9-7-14)26(2)20(27)13-29-21(28)11-10-19-25-12-18(30-19)22-16(23)4-3-5-17(22)24/h3-5,12,14-15H,6-11,13H2,1-2H3
InChIKeyCAFYGGSGXBOERI-UHFFFAOYSA-N
XLogP4.13
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46533951
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24633881
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 30136997
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42931025
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728306
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858
(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 43051300
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one
CID 43040414
[2-(N-methylanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579828

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 24602320) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is CC1CCC(N(C)C(=O)COC(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is CAFYGGSGXBOERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-14-6-8-15(9-7-14)26(2)20(27)13-29-21(28)11-10-19-25-12-18(30-19)22-16(23)4-3-5-17(22)24/h3-5,12,14-15H,6-11,13H2,1-2H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 420.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 24602320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).