5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole

C9H13FN2O — CID 84769389

IUPAC5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1CF
InChIInChI=1S/C9H13FN2O/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3
InChIKeyKPTJDPLSBKGCSN-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.53
Rot. Bonds2

About 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole

5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84769389) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84769389
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCc1nc(C2CCNC2)oc1CF
InChIInChI=1S/C9H13FN2O/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3
InChIKeyKPTJDPLSBKGCSN-UHFFFAOYSA-N
XLogP1.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole (CID 84769389) is 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole is Cc1nc(C2CCNC2)oc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is KPTJDPLSBKGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h7,11H,2-5H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole?
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 184.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84769389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).