N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C19H19F3N4O2 — CID 67391262

IUPACN-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ccc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-8-26(10-11)18-25-16(19(20,21)22)15(28-18)17(27)24-13-4-5-14-12(9-13)6-7-23-14/h4-7,9,11,23H,2-3,8,10H2,1H3,(H,24,27)
InChIKeyJEXXBLPFQZYPRZ-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.66
Rot. Bonds3

About N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67391262) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67391262
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ccc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-8-26(10-11)18-25-16(19(20,21)22)15(28-18)17(27)24-13-4-5-14-12(9-13)6-7-23-14/h4-7,9,11,23H,2-3,8,10H2,1H3,(H,24,27)
InChIKeyJEXXBLPFQZYPRZ-UHFFFAOYSA-N
XLogP4.66
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67391262) is N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ccc4c3)o2)C1.
What is the InChIKey of N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JEXXBLPFQZYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-3-2-8-26(10-11)18-25-16(19(20,21)22)15(28-18)17(27)24-13-4-5-14-12(9-13)6-7-23-14/h4-7,9,11,23H,2-3,8,10H2,1H3,(H,24,27).
What are the key properties of N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67391262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).