2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide

C18H13F3N2O3 — CID 54122011

IUPAC2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide
SMILESO=C(Nc1cnc(-c2ccc(OCc3ccccc3)cc2)o1)C(F)(F)F
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)17(24)23-15-10-22-16(26-15)13-6-8-14(9-7-13)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeyNOJHCDBWOIQWNO-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.42
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide (PubChem CID 54122011) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide
PubChem CID54122011
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide
SMILESO=C(Nc1cnc(-c2ccc(OCc3ccccc3)cc2)o1)C(F)(F)F
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)17(24)23-15-10-22-16(26-15)13-6-8-14(9-7-13)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeyNOJHCDBWOIQWNO-UHFFFAOYSA-N
XLogP4.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl}-oxazole
CID 9884772
5-(4-Methoxyphenyl)-2-phenyloxazole
CID 5325928
2-(4-Methoxyphenyl)oxazole
CID 14931773
5-(Methylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 664129
2-(4-Methoxyphenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 892204
N-hydroxy-7-[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]heptanamide
CID 44349795
N-(3,5-dimethylphenyl)-2-(4-(trifluoromethoxy)phenyl)oxazole-5-carboxamide
CID 52949384
5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
CID 2763518
2-(4-Methoxyphenyl)-5-phenyl-1,3-oxazole
CID 798929
N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 56665925
2-(4-Phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 664349
2,5-Bis(4-methoxyphenyl)oxazole
CID 13404049

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide (CID 54122011) is 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide is O=C(Nc1cnc(-c2ccc(OCc3ccccc3)cc2)o1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide?
The InChIKey is NOJHCDBWOIQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)17(24)23-15-10-22-16(26-15)13-6-8-14(9-7-13)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide has a molecular weight of 362.31 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 54122011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).