N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C12H9F3N2O3 — CID 58005534

IUPACN-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(N(c1ccc2oc(=O)[nH]c2c1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)10(18)17(6-1-2-6)7-3-4-9-8(5-7)16-11(19)20-9/h3-6H,1-2H2,(H,16,19)
InChIKeyUKEAJKKSILKUTR-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.18
Rot. Bonds2

About N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 58005534) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID58005534
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC NameN-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(N(c1ccc2oc(=O)[nH]c2c1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)10(18)17(6-1-2-6)7-3-4-9-8(5-7)16-11(19)20-9/h3-6H,1-2H2,(H,16,19)
InChIKeyUKEAJKKSILKUTR-UHFFFAOYSA-N
XLogP2.18
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 58005534) is N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(N(c1ccc2oc(=O)[nH]c2c1)C1CC1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is UKEAJKKSILKUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c13-12(14,15)10(18)17(6-1-2-6)7-3-4-9-8(5-7)16-11(19)20-9/h3-6H,1-2H2,(H,16,19).
What are the key properties of N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 286.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 58005534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).