N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

C16H18F3N3O2 — CID 122150263

IUPACN-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1nc(CNc2cccc(CN(C)C(=O)C(F)(F)F)c2)oc1C
InChIInChI=1S/C16H18F3N3O2/c1-10-11(2)24-14(21-10)8-20-13-6-4-5-12(7-13)9-22(3)15(23)16(17,18)19/h4-7,20H,8-9H2,1-3H3
InChIKeyPDFQOKMWLPSONW-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.42
Rot. Bonds5

About N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 122150263) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID122150263
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1nc(CNc2cccc(CN(C)C(=O)C(F)(F)F)c2)oc1C
InChIInChI=1S/C16H18F3N3O2/c1-10-11(2)24-14(21-10)8-20-13-6-4-5-12(7-13)9-22(3)15(23)16(17,18)19/h4-7,20H,8-9H2,1-3H3
InChIKeyPDFQOKMWLPSONW-UHFFFAOYSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide with MolForge

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Related Compounds

N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119732278
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 106376452
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (CID 122150263) is N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is Cc1nc(CNc2cccc(CN(C)C(=O)C(F)(F)F)c2)oc1C.
What is the InChIKey of N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is PDFQOKMWLPSONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-11(2)24-14(21-10)8-20-13-6-4-5-12(7-13)9-22(3)15(23)16(17,18)19/h4-7,20H,8-9H2,1-3H3.
What are the key properties of N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 341.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 122150263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).