N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide

C20H12ClF2N3O2 — CID 58487085

IUPACN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1nc2cc(Cl)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1
InChIInChI=1S/C20H12ClF2N3O2/c1-10-25-16-8-13(21)12(7-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23/h2-9H,1H3,(H,24,26,27)
InChIKeyBCUVODVWPSQNEE-UHFFFAOYSA-N
MW399.78 g/mol
LogP5.38
Rot. Bonds3

About N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 58487085) has the molecular formula C20H12ClF2N3O2 and a molecular weight of 399.78 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID58487085
Molecular FormulaC20H12ClF2N3O2
Molecular Weight399.78 g/mol
Exact Mass399.06
IUPAC NameN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1nc2cc(Cl)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1
InChIInChI=1S/C20H12ClF2N3O2/c1-10-25-16-8-13(21)12(7-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23/h2-9H,1H3,(H,24,26,27)
InChIKeyBCUVODVWPSQNEE-UHFFFAOYSA-N
XLogP5.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.78
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 58487085) is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.
What is the InChIKey of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is BCUVODVWPSQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O2/c1-10-25-16-8-13(21)12(7-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23/h2-9H,1H3,(H,24,26,27).
What are the key properties of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 399.78 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58487085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).