N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide

C13H17F3N2O2 — CID 75377777

IUPACN-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1ccon1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)6-7-18(11-3-1-2-4-11)12(19)9-10-5-8-20-17-10/h5,8,11H,1-4,6-7,9H2
InChIKeyPMGWXIPCZNJWHV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide

N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 75377777) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID75377777
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1ccon1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)6-7-18(11-3-1-2-4-11)12(19)9-10-5-8-20-17-10/h5,8,11H,1-4,6-7,9H2
InChIKeyPMGWXIPCZNJWHV-UHFFFAOYSA-N
XLogP2.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 75377777) is N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(Cc1ccon1)N(CCC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is PMGWXIPCZNJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)6-7-18(11-3-1-2-4-11)12(19)9-10-5-8-20-17-10/h5,8,11H,1-4,6-7,9H2.
What are the key properties of N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,2-oxazol-3-yl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 75377777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).