4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine

C14H21F3N2O2 — CID 176763618

IUPAC4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine
SMILESCC(C)c1oc(CCCN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-10(2)12-13(14(15,16)17)18-11(21-12)4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3
InChIKeyPZHYRNWURXTSIN-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.08
Rot. Bonds5

About 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine

4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine (PubChem CID 176763618) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine
PubChem CID176763618
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine
SMILESCC(C)c1oc(CCCN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-10(2)12-13(14(15,16)17)18-11(21-12)4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3
InChIKeyPZHYRNWURXTSIN-UHFFFAOYSA-N
XLogP3.08
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine (CID 176763618) is 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine is CC(C)c1oc(CCCN2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine?
The InChIKey is PZHYRNWURXTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-10(2)12-13(14(15,16)17)18-11(21-12)4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3.
What are the key properties of 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine?
4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine has a molecular weight of 306.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]propyl]morpholine is sourced from PubChem (CID 176763618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).