2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide

C23H16F2N2O3 — CID 11567653

IUPAC2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
SMILESCOc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H16F2N2O3/c1-29-20-10-7-15(23-26-11-12-30-23)13-17(20)14-5-8-16(9-6-14)27-22(28)21-18(24)3-2-4-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyYCQQPBDGYUQILO-UHFFFAOYSA-N
MW406.39 g/mol
LogP5.55
Rot. Bonds5

About 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide (PubChem CID 11567653) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
PubChem CID11567653
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
SMILESCOc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H16F2N2O3/c1-29-20-10-7-15(23-26-11-12-30-23)13-17(20)14-5-8-16(9-6-14)27-22(28)21-18(24)3-2-4-19(21)25/h2-13H,1H3,(H,27,28)
InChIKeyYCQQPBDGYUQILO-UHFFFAOYSA-N
XLogP5.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide (CID 11567653) is 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide is COc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The InChIKey is YCQQPBDGYUQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c1-29-20-10-7-15(23-26-11-12-30-23)13-17(20)14-5-8-16(9-6-14)27-22(28)21-18(24)3-2-4-19(21)25/h2-13H,1H3,(H,27,28).
What are the key properties of 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide has a molecular weight of 406.39 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 11567653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).