N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

C19H11ClF3N3O2 — CID 89469264

IUPACN-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1
InChIInChI=1S/C19H11ClF3N3O2/c20-14-10-12(25-18-17-16(28-26-18)5-2-8-24-17)6-7-15(14)27-13-4-1-3-11(9-13)19(21,22)23/h1-10H,(H,25,26)
InChIKeyLVCNUOPCTQMNSZ-UHFFFAOYSA-N
MW405.76 g/mol
LogP6.43
Rot. Bonds4

About N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 89469264) has the molecular formula C19H11ClF3N3O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID89469264
Molecular FormulaC19H11ClF3N3O2
Molecular Weight405.76 g/mol
Exact Mass405.05
IUPAC NameN-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1
InChIInChI=1S/C19H11ClF3N3O2/c20-14-10-12(25-18-17-16(28-26-18)5-2-8-24-17)6-7-15(14)27-13-4-1-3-11(9-13)19(21,22)23/h1-10H,(H,25,26)
InChIKeyLVCNUOPCTQMNSZ-UHFFFAOYSA-N
XLogP6.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 89469264) is N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is FC(F)(F)c1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is LVCNUOPCTQMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O2/c20-14-10-12(25-18-17-16(28-26-18)5-2-8-24-17)6-7-15(14)27-13-4-1-3-11(9-13)19(21,22)23/h1-10H,(H,25,26).
What are the key properties of N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 405.76 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 89469264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).