N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide

C24H18ClF3N2O2 — CID 93307689

IUPACN-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-7-2-1-6-20(21)23-12-19(32-29-23)14-30(13-16-8-9-18(27)11-22(16)28)24(31)15-4-3-5-17(26)10-15/h1-11,19H,12-14H2/t19-/m0/s1
InChIKeyOYFMVGALNXMBFZ-IBGZPJMESA-N
MW458.87 g/mol
LogP5.59
Rot. Bonds6

About N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide

N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide (PubChem CID 93307689) has the molecular formula C24H18ClF3N2O2 and a molecular weight of 458.87 g/mol. Its IUPAC name is N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide
PubChem CID93307689
Molecular FormulaC24H18ClF3N2O2
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC NameN-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-7-2-1-6-20(21)23-12-19(32-29-23)14-30(13-16-8-9-18(27)11-22(16)28)24(31)15-4-3-5-17(26)10-15/h1-11,19H,12-14H2/t19-/m0/s1
InChIKeyOYFMVGALNXMBFZ-IBGZPJMESA-N
XLogP5.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.87
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 93116044
N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-chlorophenyl)methyl]-2-fluorobenzamide
CID 93307860
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
CID 42815801
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
CID 42669710
N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 42815733
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 42790103
1-[(2,4-difluorophenyl)methyl]-1-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,3-dimethylurea
CID 7238525
1-[[(5S)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2,4-difluorophenyl)methyl]-3-ethylurea
CID 93308079
N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
CID 93115772
1-[(2-chlorophenyl)methyl]-3-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816142
N-[(2,4-difluorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclopropanecarboxamide
CID 46127422
N-[[(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 97473530

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide (CID 93307689) is N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide is O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide?
The InChIKey is OYFMVGALNXMBFZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H18ClF3N2O2/c25-21-7-2-1-6-20(21)23-12-19(32-29-23)14-30(13-16-8-9-18(27)11-22(16)28)24(31)15-4-3-5-17(26)10-15/h1-11,19H,12-14H2/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide?
N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide has a molecular weight of 458.87 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 93307689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).