N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C21H21F3N4O3 — CID 57393261

IUPACN-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(CCOC)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C21H21F3N4O3/c1-3-28(11-12-30-2)16-10-9-15(13-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,26,29)
InChIKeyMHGGYHYVXPRIBU-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.48
Rot. Bonds8

About N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57393261) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID57393261
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(CCOC)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C21H21F3N4O3/c1-3-28(11-12-30-2)16-10-9-15(13-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,26,29)
InChIKeyMHGGYHYVXPRIBU-UHFFFAOYSA-N
XLogP4.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 57393261) is N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCN(CCOC)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1.
What is the InChIKey of N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MHGGYHYVXPRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-3-28(11-12-30-2)16-10-9-15(13-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethyl(2-methoxyethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57393261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).