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

C10H13F3N2O — CID 105493971

IUPAC5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1CC1CCNC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(4-7-2-3-14-5-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyOLVCABXUSHLXOS-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.15
Rot. Bonds2

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

5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493971) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID105493971
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1CC1CCNC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(4-7-2-3-14-5-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyOLVCABXUSHLXOS-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 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (CID 105493971) is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is Cc1oc(C(F)(F)F)nc1CC1CCNC1.
What is the InChIKey of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is OLVCABXUSHLXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-8(4-7-2-3-14-5-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3.
What are the key properties of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(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 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).