N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline

C13H13F3N2O — CID 103764545

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCCc1cnc(CNc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H13F3N2O/c1-2-11-7-18-12(19-11)8-17-10-5-3-9(4-6-10)13(14,15)16/h3-7,17H,2,8H2,1H3
InChIKeyPCHOLJDNDGIGHD-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.87
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 103764545) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID103764545
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCCc1cnc(CNc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C13H13F3N2O/c1-2-11-7-18-12(19-11)8-17-10-5-3-9(4-6-10)13(14,15)16/h3-7,17H,2,8H2,1H3
InChIKeyPCHOLJDNDGIGHD-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-chloro-4-methylaniline
CID 72107227
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
CID 52877914
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 53579650
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
CID 71973373
1-[4-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 71979901
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
5-[[4-isocyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]methyl]-1,3-oxazole-2-carbonitrile
CID 57771315
2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide
CID 87295669
5-[[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]methyl]-1,3-oxazole-2-carbonitrile
CID 87626984
2-[[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]methyl]-1,3-oxazole-5-carbonitrile
CID 87627584

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline (CID 103764545) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline is CCc1cnc(CNc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is PCHOLJDNDGIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-11-7-18-12(19-11)8-17-10-5-3-9(4-6-10)13(14,15)16/h3-7,17H,2,8H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 270.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 103764545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).