N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H18F2N4O — CID 106963687

IUPACN-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(Nc2nnc(CNCC(C)C)o2)c1F
InChIInChI=1S/C14H18F2N4O/c1-8(2)6-17-7-11-19-20-14(21-11)18-13-10(15)5-4-9(3)12(13)16/h4-5,8,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyWIKXWUODNHROMH-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.15
Rot. Bonds6

About N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963687) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963687
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(Nc2nnc(CNCC(C)C)o2)c1F
InChIInChI=1S/C14H18F2N4O/c1-8(2)6-17-7-11-19-20-14(21-11)18-13-10(15)5-4-9(3)12(13)16/h4-5,8,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyWIKXWUODNHROMH-UHFFFAOYSA-N
XLogP3.15
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954
N-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966235
N-(2-fluoro-6-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965056
N-(4-bromo-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966586
N-[(2-fluorophenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968171
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
N-(2,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968469
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106963687) is N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(F)c(Nc2nnc(CNCC(C)C)o2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WIKXWUODNHROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-8(2)6-17-7-11-19-20-14(21-11)18-13-10(15)5-4-9(3)12(13)16/h4-5,8,17H,6-7H2,1-3H3,(H,18,20).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 296.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).