3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

C15H15F3N2O2 — CID 18136013

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(F)(F)F)o2)cc1
InChIInChI=1S/C15H15F3N2O2/c1-10-2-4-11(5-3-10)12-8-19-14(22-12)7-6-13(21)20-9-15(16,17)18/h2-5,8H,6-7,9H2,1H3,(H,20,21)
InChIKeyMNKFAUHFNFABIB-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.26
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 18136013) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID18136013
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(F)(F)F)o2)cc1
InChIInChI=1S/C15H15F3N2O2/c1-10-2-4-11(5-3-10)12-8-19-14(22-12)7-6-13(21)20-9-15(16,17)18/h2-5,8H,6-7,9H2,1H3,(H,20,21)
InChIKeyMNKFAUHFNFABIB-UHFFFAOYSA-N
XLogP3.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 18136013) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)NCC(F)(F)F)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MNKFAUHFNFABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-10-2-4-11(5-3-10)12-8-19-14(22-12)7-6-13(21)20-9-15(16,17)18/h2-5,8H,6-7,9H2,1H3,(H,20,21).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 312.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 18136013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).