N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline

C13H14F2N2O — CID 103585647

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2nc(C)c(C)o2)cc1F
InChIInChI=1S/C13H14F2N2O/c1-7-4-11(15)12(5-10(7)14)16-6-13-17-8(2)9(3)18-13/h4-5,16H,6H2,1-3H3
InChIKeyFCUIPIVBDZOVNM-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.49
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585647) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline
PubChem CID103585647
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2nc(C)c(C)o2)cc1F
InChIInChI=1S/C13H14F2N2O/c1-7-4-11(15)12(5-10(7)14)16-6-13-17-8(2)9(3)18-13/h4-5,16H,6H2,1-3H3
InChIKeyFCUIPIVBDZOVNM-UHFFFAOYSA-N
XLogP3.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3239376
2-Methyl-5-[(4-methylphenyl)amino]-1,3-oxazole-4-carbonitrile
CID 843337
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195141
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195148
N-(4-fluoro-3-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195151
N-(2-fluoro-5-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195157
N-(2-fluoro-4-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195163
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53195170
N-(4-Fluoro-2-methylphenyl)-5-methyl-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195208
5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53195209
N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195216
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 72001424

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline (CID 103585647) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline is Cc1cc(F)c(NCc2nc(C)c(C)o2)cc1F.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is FCUIPIVBDZOVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7-4-11(15)12(5-10(7)14)16-6-13-17-8(2)9(3)18-13/h4-5,16H,6H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline has a molecular weight of 252.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).