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

C19H17F3N4O3 — CID 57393260

IUPACN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCO)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28)
InChIKeyQRWPZKBCYHRTOL-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.44
Rot. Bonds6

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

N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57393260) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID57393260
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCO)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28)
InChIKeyQRWPZKBCYHRTOL-UHFFFAOYSA-N
XLogP3.44
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 57393260) is N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN(CCO)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1.
What is the InChIKey of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QRWPZKBCYHRTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28).
What are the key properties of N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57393260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).