4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole

C10H13F3N2O — CID 105493991

IUPAC4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(CC2CCNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6-9(10(11,12)13)16-8(15-6)4-7-2-3-14-5-7/h7,14H,2-5H2,1H3
InChIKeyAIVUZOQMOHLNQK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.15
Rot. Bonds2

About 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole

4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493991) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
PubChem CID105493991
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(CC2CCNC2)oc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6-9(10(11,12)13)16-8(15-6)4-7-2-3-14-5-7/h7,14H,2-5H2,1H3
InChIKeyAIVUZOQMOHLNQK-UHFFFAOYSA-N
XLogP2.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (CID 105493991) is 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is Cc1nc(CC2CCNC2)oc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is AIVUZOQMOHLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-9(10(11,12)13)16-8(15-6)4-7-2-3-14-5-7/h7,14H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).