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

C14H16FN3O2 — CID 99820539

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(CNc2nnc([C@H]3CCCO3)o2)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-5-11(15)10(7-9)8-16-14-18-17-13(20-14)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyGVLRWKSYUNEBGC-GFCCVEGCSA-N
MW277.30 g/mol
LogP2.98
Rot. Bonds4

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

N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 99820539) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID99820539
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(CNc2nnc([C@H]3CCCO3)o2)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-5-11(15)10(7-9)8-16-14-18-17-13(20-14)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyGVLRWKSYUNEBGC-GFCCVEGCSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine (CID 99820539) is N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine is Cc1ccc(F)c(CNc2nnc([C@H]3CCCO3)o2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GVLRWKSYUNEBGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-4-5-11(15)10(7-9)8-16-14-18-17-13(20-14)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 277.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 99820539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).