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

C18H18F3N3O2 — CID 45215445

IUPACN-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)C(C)c1ccon1
InChIInChI=1S/C18H18F3N3O2/c1-11(15-7-8-25-23-15)24(3)10-16-12(2)26-17(22-16)13-5-4-6-14(9-13)18(19,20)21/h4-9,11H,10H2,1-3H3
InChIKeyVJLMIQIXZBCQQK-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.85
Rot. Bonds5

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

N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 45215445) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID45215445
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)C(C)c1ccon1
InChIInChI=1S/C18H18F3N3O2/c1-11(15-7-8-25-23-15)24(3)10-16-12(2)26-17(22-16)13-5-4-6-14(9-13)18(19,20)21/h4-9,11H,10H2,1-3H3
InChIKeyVJLMIQIXZBCQQK-UHFFFAOYSA-N
XLogP4.85
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45203103
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 45176851
N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45227041
(2R)-3-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]propane-1,2-diol
CID 95202912
(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42565505
methyl 2-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]acetate
CID 56750581
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142936042
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750372

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (CID 45215445) is N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)C(C)c1ccon1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is VJLMIQIXZBCQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(15-7-8-25-23-15)24(3)10-16-12(2)26-17(22-16)13-5-4-6-14(9-13)18(19,20)21/h4-9,11H,10H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 365.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 45215445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).