3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide

C19H13Cl2F2N3O4 — CID 66574650

IUPAC3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide
SMILESCNC(=O)C(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Cl)o1
InChIInChI=1S/C19H13Cl2F2N3O4/c1-25-18(28)15(29-11-7-6-10(22)12(13(11)23)17(24)27)19-26-14(16(21)30-19)8-2-4-9(20)5-3-8/h2-7,15H,1H3,(H2,24,27)(H,25,28)
InChIKeyPKTMQTKBRQJOAC-UHFFFAOYSA-N
MW456.23 g/mol
LogP3.89
Rot. Bonds6

About 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide

3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide (PubChem CID 66574650) has the molecular formula C19H13Cl2F2N3O4 and a molecular weight of 456.23 g/mol. Its IUPAC name is 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide
PubChem CID66574650
Molecular FormulaC19H13Cl2F2N3O4
Molecular Weight456.23 g/mol
Exact Mass455.03
IUPAC Name3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide
SMILESCNC(=O)C(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Cl)o1
InChIInChI=1S/C19H13Cl2F2N3O4/c1-25-18(28)15(29-11-7-6-10(22)12(13(11)23)17(24)27)19-26-14(16(21)30-19)8-2-4-9(20)5-3-8/h2-7,15H,1H3,(H2,24,27)(H,25,28)
InChIKeyPKTMQTKBRQJOAC-UHFFFAOYSA-N
XLogP3.89
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.23
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide (CID 66574650) is 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide is CNC(=O)C(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Cl)o1.
What is the InChIKey of 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide?
The InChIKey is PKTMQTKBRQJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2N3O4/c1-25-18(28)15(29-11-7-6-10(22)12(13(11)23)17(24)27)19-26-14(16(21)30-19)8-2-4-9(20)5-3-8/h2-7,15H,1H3,(H2,24,27)(H,25,28).
What are the key properties of 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide?
3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide has a molecular weight of 456.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-chloro-4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-(methylamino)-2-oxoethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 66574650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).