N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

C20H18F3N3O3 — CID 46097282

IUPACN,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C20H18F3N3O3/c1-13-17(19(27)26(2)12-10-15-5-3-4-11-24-15)18(29-25-13)14-6-8-16(9-7-14)28-20(21,22)23/h3-9,11H,10,12H2,1-2H3
InChIKeyALPWJAGVNHEXTB-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.26
Rot. Bonds6

About N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097282) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46097282
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C20H18F3N3O3/c1-13-17(19(27)26(2)12-10-15-5-3-4-11-24-15)18(29-25-13)14-6-8-16(9-7-14)28-20(21,22)23/h3-9,11H,10,12H2,1-2H3
InChIKeyALPWJAGVNHEXTB-UHFFFAOYSA-N
XLogP4.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 46097282) is N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N(C)CCc1ccccn1.
What is the InChIKey of N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ALPWJAGVNHEXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-13-17(19(27)26(2)12-10-15-5-3-4-11-24-15)18(29-25-13)14-6-8-16(9-7-14)28-20(21,22)23/h3-9,11H,10,12H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).