6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide

C18H14ClF3N4O3 — CID 90657042

IUPAC6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cn2)c1COC(c1ccc(C(N)=O)cn1)C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27)
InChIKeyHCBIDIPXBZFXET-UHFFFAOYSA-N
MW426.78 g/mol
LogP4.01
Rot. Bonds6

About 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide

6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide (PubChem CID 90657042) has the molecular formula C18H14ClF3N4O3 and a molecular weight of 426.78 g/mol. Its IUPAC name is 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide
PubChem CID90657042
Molecular FormulaC18H14ClF3N4O3
Molecular Weight426.78 g/mol
Exact Mass426.07
IUPAC Name6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cn2)c1COC(c1ccc(C(N)=O)cn1)C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27)
InChIKeyHCBIDIPXBZFXET-UHFFFAOYSA-N
XLogP4.01
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide (CID 90657042) is 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide is Cc1onc(-c2ccc(Cl)cn2)c1COC(c1ccc(C(N)=O)cn1)C(F)(F)F.
What is the InChIKey of 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide?
The InChIKey is HCBIDIPXBZFXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27).
What are the key properties of 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide?
6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide has a molecular weight of 426.78 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2,2,2-trifluoroethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90657042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).