N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine

C14H17ClFN3O — CID 62162780

IUPACN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C14H17ClFN3O/c1-14(2,3)17-7-6-12-18-19-13(20-12)10-5-4-9(16)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3
InChIKeyDSPBVZMLZPUUCT-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.46
Rot. Bonds4

About N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 62162780) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID62162780
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC NameN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C14H17ClFN3O/c1-14(2,3)17-7-6-12-18-19-13(20-12)10-5-4-9(16)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3
InChIKeyDSPBVZMLZPUUCT-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164674
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070768
N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 106689625
N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929338
N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 107993073
N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137964
N-[2-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62163649
N-[2-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164500
N-[2-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 105064451
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
N-[[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137598

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 62162780) is N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1.
What is the InChIKey of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is DSPBVZMLZPUUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-14(2,3)17-7-6-12-18-19-13(20-12)10-5-4-9(16)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 297.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62162780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).