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

C17H19F3N2O2 — CID 45249976

IUPACN-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)C1CCOC1
InChIInChI=1S/C17H19F3N2O2/c1-11-15(9-22(2)14-7-8-23-10-14)21-16(24-11)12-3-5-13(6-4-12)17(18,19)20/h3-6,14H,7-10H2,1-2H3
InChIKeyCLBQKBZRYRPGIZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.89
Rot. Bonds4

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

N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine (PubChem CID 45249976) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine
PubChem CID45249976
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)C1CCOC1
InChIInChI=1S/C17H19F3N2O2/c1-11-15(9-22(2)14-7-8-23-10-14)21-16(24-11)12-3-5-13(6-4-12)17(18,19)20/h3-6,14H,7-10H2,1-2H3
InChIKeyCLBQKBZRYRPGIZ-UHFFFAOYSA-N
XLogP3.89
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45178099
methyl 4-[5-methyl-4-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]-1,3-oxazol-2-yl]benzoate
CID 42595758
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45191507
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45228461
N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45245587
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
5-methyl-4-[(4-phenylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175236922
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488
1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25293471
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine (CID 45249976) is N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)C1CCOC1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine?
The InChIKey is CLBQKBZRYRPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11-15(9-22(2)14-7-8-23-10-14)21-16(24-11)12-3-5-13(6-4-12)17(18,19)20/h3-6,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine?
N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine has a molecular weight of 340.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 45249976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).