N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

C17H11F3N4O — CID 23725730

IUPACN-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
SMILESFC(F)(F)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)12-4-1-10(2-5-12)15-9-21-16(25-15)23-13-6-3-11-8-22-24-14(11)7-13/h1-9H,(H,21,23)(H,22,24)
InChIKeyIUOXKTPSYHENEZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.98
Rot. Bonds3

About N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (PubChem CID 23725730) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
PubChem CID23725730
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC NameN-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
SMILESFC(F)(F)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)12-4-1-10(2-5-12)15-9-21-16(25-15)23-13-6-3-11-8-22-24-14(11)7-13/h1-9H,(H,21,23)(H,22,24)
InChIKeyIUOXKTPSYHENEZ-UHFFFAOYSA-N
XLogP4.98
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (CID 23725730) is N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is FC(F)(F)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The InChIKey is IUOXKTPSYHENEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)12-4-1-10(2-5-12)15-9-21-16(25-15)23-13-6-3-11-8-22-24-14(11)7-13/h1-9H,(H,21,23)(H,22,24).
What are the key properties of N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 344.30 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 23725730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).