1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

C17H11ClF3N3O4 — CID 121433829

IUPAC1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)Oc1ccno1
InChIInChI=1S/C17H11ClF3N3O4/c18-11-3-1-10(2-4-11)13-7-12(8-22-15(13)26-9-17(19,20)21)24-16(25)27-14-5-6-23-28-14/h1-8H,9H2,(H,24,25)
InChIKeyFJPKNYJEKHRZOP-UHFFFAOYSA-N
MW413.74 g/mol
LogP4.94
Rot. Bonds5

About 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (PubChem CID 121433829) has the molecular formula C17H11ClF3N3O4 and a molecular weight of 413.74 g/mol. Its IUPAC name is 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
PubChem CID121433829
Molecular FormulaC17H11ClF3N3O4
Molecular Weight413.74 g/mol
Exact Mass413.04
IUPAC Name1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)Oc1ccno1
InChIInChI=1S/C17H11ClF3N3O4/c18-11-3-1-10(2-4-11)13-7-12(8-22-15(13)26-9-17(19,20)21)24-16(25)27-14-5-6-23-28-14/h1-8H,9H2,(H,24,25)
InChIKeyFJPKNYJEKHRZOP-UHFFFAOYSA-N
XLogP4.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pyrimidin-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433854
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 56961607
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-phenylethanone
CID 149327782
N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide
CID 56961779
N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
CID 56951327
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyrimidin-5-ylethanone
CID 149147838
N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide
CID 56961773
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The IUPAC name of 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (CID 121433829) is 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.
What is the SMILES notation for 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The canonical SMILES for 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)Oc1ccno1.
What is the InChIKey of 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The InChIKey is FJPKNYJEKHRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O4/c18-11-3-1-10(2-4-11)13-7-12(8-22-15(13)26-9-17(19,20)21)24-16(25)27-14-5-6-23-28-14/h1-8H,9H2,(H,24,25).
What are the key properties of 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate has a molecular weight of 413.74 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is sourced from PubChem (CID 121433829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).