3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide

C11H9F3N2O2 — CID 86924240

IUPAC3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CC(F)(F)F)cc2o1
InChIInChI=1S/C11H9F3N2O2/c1-6-15-8-3-2-7(4-9(8)18-6)16-10(17)5-11(12,13)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyVZMPGEYJZOOCIT-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.03
Rot. Bonds2

About 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide

3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide (PubChem CID 86924240) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
PubChem CID86924240
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CC(F)(F)F)cc2o1
InChIInChI=1S/C11H9F3N2O2/c1-6-15-8-3-2-7(4-9(8)18-6)16-10(17)5-11(12,13)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyVZMPGEYJZOOCIT-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
2,2,2-trifluoroethyl N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]carbamate
CID 71931821
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842897
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide (CID 86924240) is 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)CC(F)(F)F)cc2o1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is VZMPGEYJZOOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-6-15-8-3-2-7(4-9(8)18-6)16-10(17)5-11(12,13)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 258.20 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 86924240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).