[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine

C10H10F3N3O — CID 82478806

IUPAC[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESCn1ccc(-c2onc(C(F)(F)F)c2CN)c1
InChIInChI=1S/C10H10F3N3O/c1-16-3-2-6(5-16)8-7(4-14)9(15-17-8)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyLXNSMXSWNDLNGN-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.16
Rot. Bonds2

About [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine

[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82478806) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82478806
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESCn1ccc(-c2onc(C(F)(F)F)c2CN)c1
InChIInChI=1S/C10H10F3N3O/c1-16-3-2-6(5-16)8-7(4-14)9(15-17-8)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyLXNSMXSWNDLNGN-UHFFFAOYSA-N
XLogP2.16
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (CID 82478806) is [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is Cn1ccc(-c2onc(C(F)(F)F)c2CN)c1.
What is the InChIKey of [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is LXNSMXSWNDLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-16-3-2-6(5-16)8-7(4-14)9(15-17-8)10(11,12)13/h2-3,5H,4,14H2,1H3.
What are the key properties of [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
[5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 245.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrol-3-yl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82478806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).