N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C23H28F3N5O3 — CID 163675348

IUPACN-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCCOC(CC)n1ncc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
InChIInChI=1S/C23H28F3N5O3/c1-4-18(33-5-2)31-17-9-8-16(11-15(17)12-27-31)28-21(32)19-20(23(24,25)26)29-22(34-19)30-10-6-7-14(3)13-30/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3,(H,28,32)
InChIKeyJGEWQCMXUOYQRY-UHFFFAOYSA-N
MW479.50 g/mol
LogP5.48
Rot. Bonds7

About N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 163675348) has the molecular formula C23H28F3N5O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID163675348
Molecular FormulaC23H28F3N5O3
Molecular Weight479.50 g/mol
Exact Mass479.21
IUPAC NameN-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCCOC(CC)n1ncc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
InChIInChI=1S/C23H28F3N5O3/c1-4-18(33-5-2)31-17-9-8-16(11-15(17)12-27-31)28-21(32)19-20(23(24,25)26)29-22(34-19)30-10-6-7-14(3)13-30/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3,(H,28,32)
InChIKeyJGEWQCMXUOYQRY-UHFFFAOYSA-N
XLogP5.48
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 163675348) is N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CCOC(CC)n1ncc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21.
What is the InChIKey of N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JGEWQCMXUOYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O3/c1-4-18(33-5-2)31-17-9-8-16(11-15(17)12-27-31)28-21(32)19-20(23(24,25)26)29-22(34-19)30-10-6-7-14(3)13-30/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3,(H,28,32).
What are the key properties of N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxypropyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 163675348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).