3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

C17H13F3N2O3 — CID 110390501

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)11-3-5-12(6-4-11)21-15(23)8-2-10-1-7-14-13(9-10)22-16(24)25-14/h1,3-7,9H,2,8H2,(H,21,23)(H,22,24)
InChIKeyZBSBPFSFOXPWMG-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.71
Rot. Bonds4

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 110390501) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID110390501
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)11-3-5-12(6-4-11)21-15(23)8-2-10-1-7-14-13(9-10)22-16(24)25-14/h1,3-7,9H,2,8H2,(H,21,23)(H,22,24)
InChIKeyZBSBPFSFOXPWMG-UHFFFAOYSA-N
XLogP3.71
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110390495
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774069

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 110390501) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZBSBPFSFOXPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)11-3-5-12(6-4-11)21-15(23)8-2-10-1-7-14-13(9-10)22-16(24)25-14/h1,3-7,9H,2,8H2,(H,21,23)(H,22,24).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 350.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110390501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).