1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine

C16H14F2N2OS — CID 134001654

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCN(Cc1coc(-c2cccs2)n1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2OS/c1-20(8-11-4-5-12(17)7-14(11)18)9-13-10-21-16(19-13)15-3-2-6-22-15/h2-7,10H,8-9H2,1H3
InChIKeyGUNIYIDYYVTOJW-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.31
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine

1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 134001654) has the molecular formula C16H14F2N2OS and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID134001654
Molecular FormulaC16H14F2N2OS
Molecular Weight320.36 g/mol
Exact Mass320.08
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCN(Cc1coc(-c2cccs2)n1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2OS/c1-20(8-11-4-5-12(17)7-14(11)18)9-13-10-21-16(19-13)15-3-2-6-22-15/h2-7,10H,8-9H2,1H3
InChIKeyGUNIYIDYYVTOJW-UHFFFAOYSA-N
XLogP4.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 71888202
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
1-[5-fluoro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112787694
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134046643
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 86983852
1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 134001630
1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 95339556
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 7695771

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 134001654) is 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is CN(Cc1coc(-c2cccs2)n1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is GUNIYIDYYVTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2OS/c1-20(8-11-4-5-12(17)7-14(11)18)9-13-10-21-16(19-13)15-3-2-6-22-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 320.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 134001654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).