N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C25H20F3N5O3 — CID 123869683

IUPACN-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C(F)(F)F)c4)cn3)c2c1
InChIInChI=1S/C25H20F3N5O3/c1-35-19-5-6-21-20(10-19)16(11-29-21)7-8-33-13-18(12-31-33)32-24(34)22-23(36-14-30-22)15-3-2-4-17(9-15)25(26,27)28/h2-6,9-14,29H,7-8H2,1H3,(H,32,34)
InChIKeyHUAYNAQDQBVYRU-UHFFFAOYSA-N
MW495.46 g/mol
LogP5.54
Rot. Bonds7

About N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 123869683) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID123869683
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC NameN-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C(F)(F)F)c4)cn3)c2c1
InChIInChI=1S/C25H20F3N5O3/c1-35-19-5-6-21-20(10-19)16(11-29-21)7-8-33-13-18(12-31-33)32-24(34)22-23(36-14-30-22)15-3-2-4-17(9-15)25(26,27)28/h2-6,9-14,29H,7-8H2,1H3,(H,32,34)
InChIKeyHUAYNAQDQBVYRU-UHFFFAOYSA-N
XLogP5.54
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 123869683) is N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C(F)(F)F)c4)cn3)c2c1.
What is the InChIKey of N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HUAYNAQDQBVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-35-19-5-6-21-20(10-19)16(11-29-21)7-8-33-13-18(12-31-33)32-24(34)22-23(36-14-30-22)15-3-2-4-17(9-15)25(26,27)28/h2-6,9-14,29H,7-8H2,1H3,(H,32,34).
What are the key properties of N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123869683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).