N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine

C21H15F3N4O — CID 53312081

IUPACN-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)o3)n2)c1
InChIInChI=1S/C21H15F3N4O/c1-13-9-10-25-19(11-13)28-18-4-2-3-16(27-18)17-12-26-20(29-17)14-5-7-15(8-6-14)21(22,23)24/h2-12H,1H3,(H,25,27,28)
InChIKeyHKXWKRQGZMLJHH-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.87
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine

N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine (PubChem CID 53312081) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
PubChem CID53312081
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC NameN-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)o3)n2)c1
InChIInChI=1S/C21H15F3N4O/c1-13-9-10-25-19(11-13)28-18-4-2-3-16(27-18)17-12-26-20(29-17)14-5-7-15(8-6-14)21(22,23)24/h2-12H,1H3,(H,25,27,28)
InChIKeyHKXWKRQGZMLJHH-UHFFFAOYSA-N
XLogP5.87
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine (CID 53312081) is N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)o3)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine?
The InChIKey is HKXWKRQGZMLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-13-9-10-25-19(11-13)28-18-4-2-3-16(27-18)17-12-26-20(29-17)14-5-7-15(8-6-14)21(22,23)24/h2-12H,1H3,(H,25,27,28).
What are the key properties of N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine?
N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine has a molecular weight of 396.37 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53312081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).