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

C11H12FN3O — CID 115924781

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(F)cc2C)o1
InChIInChI=1S/C11H12FN3O/c1-7-5-10(12)4-3-9(7)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyRSMGYVQXGDPLNS-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.44
Rot. Bonds3

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

N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924781) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924781
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccc(F)cc2C)o1
InChIInChI=1S/C11H12FN3O/c1-7-5-10(12)4-3-9(7)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyRSMGYVQXGDPLNS-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963148
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924736
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 166225866
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130702623

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924781) is N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2ccc(F)cc2C)o1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is RSMGYVQXGDPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-5-10(12)4-3-9(7)6-13-11-15-14-8(2)16-11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).