N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H16Cl2N2O4 — CID 71733461

IUPACN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H16Cl2N2O4/c24-16-7-9-21(19(28)11-16)30-20-8-6-14(10-17(20)25)13-26-23(29)18-12-22(31-27-18)15-4-2-1-3-5-15/h1-12,28H,13H2,(H,26,29)
InChIKeyFNMYHSIGJGSQTE-UHFFFAOYSA-N
MW455.30 g/mol
LogP6.08
Rot. Bonds6

About N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71733461) has the molecular formula C23H16Cl2N2O4 and a molecular weight of 455.30 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71733461
Molecular FormulaC23H16Cl2N2O4
Molecular Weight455.30 g/mol
Exact Mass454.05
IUPAC NameN-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H16Cl2N2O4/c24-16-7-9-21(19(28)11-16)30-20-8-6-14(10-17(20)25)13-26-23(29)18-12-22(31-27-18)15-4-2-1-3-5-15/h1-12,28H,13H2,(H,26,29)
InChIKeyFNMYHSIGJGSQTE-UHFFFAOYSA-N
XLogP6.08
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71733460
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 110908974
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
N-[[4-(3-chloro-2-methylphenoxy)phenyl]methyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 163347457
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 71733461) is N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FNMYHSIGJGSQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O4/c24-16-7-9-21(19(28)11-16)30-20-8-6-14(10-17(20)25)13-26-23(29)18-12-22(31-27-18)15-4-2-1-3-5-15/h1-12,28H,13H2,(H,26,29).
What are the key properties of N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 455.30 g/mol, XLogP of 6.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71733461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).