N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide

C23H21Cl2F3N2O2 — CID 58200149

IUPACN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCCC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C23H21Cl2F3N2O2/c1-2-3-21(31)29-19-7-5-13-8-14(4-6-18(13)19)20-12-22(32-30-20,23(26,27)28)15-9-16(24)11-17(25)10-15/h4,6,8-11,19H,2-3,5,7,12H2,1H3,(H,29,31)
InChIKeyONGTZZBMZRSPAL-UHFFFAOYSA-N
MW485.33 g/mol
LogP6.48
Rot. Bonds5

About N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide

N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide (PubChem CID 58200149) has the molecular formula C23H21Cl2F3N2O2 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide.

Molecular Properties

Compound NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
PubChem CID58200149
Molecular FormulaC23H21Cl2F3N2O2
Molecular Weight485.33 g/mol
Exact Mass484.09
IUPAC NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCCC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C23H21Cl2F3N2O2/c1-2-3-21(31)29-19-7-5-13-8-14(4-6-18(13)19)20-12-22(32-30-20,23(26,27)28)15-9-16(24)11-17(25)10-15/h4,6,8-11,19H,2-3,5,7,12H2,1H3,(H,29,31)
InChIKeyONGTZZBMZRSPAL-UHFFFAOYSA-N
XLogP6.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.33
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide (CID 58200149) is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide.
What is the SMILES notation for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The canonical SMILES for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide is CCCC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The InChIKey is ONGTZZBMZRSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F3N2O2/c1-2-3-21(31)29-19-7-5-13-8-14(4-6-18(13)19)20-12-22(32-30-20,23(26,27)28)15-9-16(24)11-17(25)10-15/h4,6,8-11,19H,2-3,5,7,12H2,1H3,(H,29,31).
What are the key properties of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide has a molecular weight of 485.33 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]butanamide is sourced from PubChem (CID 58200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).