2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

C14H14ClF3N4O3 — CID 67509759

IUPAC2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(N)oc1C(=O)NC(C)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H14ClF3N4O3/c1-6(21-11(23)10-7(2)22-13(19)25-10)8-3-9(15)12(20-4-8)24-5-14(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyQDSXBHURIQIBIM-UHFFFAOYSA-N
MW378.74 g/mol
LogP3.05
Rot. Bonds5

About 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide

2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 67509759) has the molecular formula C14H14ClF3N4O3 and a molecular weight of 378.74 g/mol. Its IUPAC name is 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID67509759
Molecular FormulaC14H14ClF3N4O3
Molecular Weight378.74 g/mol
Exact Mass378.07
IUPAC Name2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(N)oc1C(=O)NC(C)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H14ClF3N4O3/c1-6(21-11(23)10-7(2)22-13(19)25-10)8-3-9(15)12(20-4-8)24-5-14(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyQDSXBHURIQIBIM-UHFFFAOYSA-N
XLogP3.05
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 67509759) is 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1nc(N)oc1C(=O)NC(C)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is QDSXBHURIQIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O3/c1-6(21-11(23)10-7(2)22-13(19)25-10)8-3-9(15)12(20-4-8)24-5-14(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 378.74 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).