N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide

C17H10ClF2N3O4 — CID 71526421

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C17H10ClF2N3O4/c1-8-11(7-22-27-8)16(24)23-15-3-2-9(6-21-15)10-4-13-14(5-12(10)18)26-17(19,20)25-13/h2-7H,1H3,(H,21,23,24)
InChIKeyRLAJDVCKZFIJQW-UHFFFAOYSA-N
MW393.73 g/mol
LogP4.27
Rot. Bonds3

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71526421) has the molecular formula C17H10ClF2N3O4 and a molecular weight of 393.73 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71526421
Molecular FormulaC17H10ClF2N3O4
Molecular Weight393.73 g/mol
Exact Mass393.03
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C17H10ClF2N3O4/c1-8-11(7-22-27-8)16(24)23-15-3-2-9(6-21-15)10-4-13-14(5-12(10)18)26-17(19,20)25-13/h2-7H,1H3,(H,21,23,24)
InChIKeyRLAJDVCKZFIJQW-UHFFFAOYSA-N
XLogP4.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71526421) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RLAJDVCKZFIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O4/c1-8-11(7-22-27-8)16(24)23-15-3-2-9(6-21-15)10-4-13-14(5-12(10)18)26-17(19,20)25-13/h2-7H,1H3,(H,21,23,24).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.73 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71526421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).