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

C18H13ClF3N3O3 — CID 155549920

IUPACN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ncc(C(F)(F)F)cc3Cl)cc2)no1
InChIInChI=1S/C18H13ClF3N3O3/c1-10-6-15(25-28-10)17(26)24-12-2-4-13(5-3-12)27-9-16-14(19)7-11(8-23-16)18(20,21)22/h2-8H,9H2,1H3,(H,24,26)
InChIKeyKICGOEZCLRCJFH-UHFFFAOYSA-N
MW411.77 g/mol
LogP4.88
Rot. Bonds5

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

N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155549920) has the molecular formula C18H13ClF3N3O3 and a molecular weight of 411.77 g/mol. Its IUPAC name is N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID155549920
Molecular FormulaC18H13ClF3N3O3
Molecular Weight411.77 g/mol
Exact Mass411.06
IUPAC NameN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ncc(C(F)(F)F)cc3Cl)cc2)no1
InChIInChI=1S/C18H13ClF3N3O3/c1-10-6-15(25-28-10)17(26)24-12-2-4-13(5-3-12)27-9-16-14(19)7-11(8-23-16)18(20,21)22/h2-8H,9H2,1H3,(H,24,26)
InChIKeyKICGOEZCLRCJFH-UHFFFAOYSA-N
XLogP4.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155549920) is N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OCc3ncc(C(F)(F)F)cc3Cl)cc2)no1.
What is the InChIKey of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KICGOEZCLRCJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3/c1-10-6-15(25-28-10)17(26)24-12-2-4-13(5-3-12)27-9-16-14(19)7-11(8-23-16)18(20,21)22/h2-8H,9H2,1H3,(H,24,26).
What are the key properties of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.77 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155549920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).