5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine

C14H19N3O3S — CID 97206992

IUPAC5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C14H19N3O3S/c1-4-12(15-14-17-16-13(5-2)20-14)10-6-8-11(9-7-10)21(3,18)19/h6-9,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyJVQSMGNPFARYDZ-LBPRGKRZSA-N
MW309.39 g/mol
LogP2.60
Rot. Bonds6

About 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine

5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97206992) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID97206992
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C14H19N3O3S/c1-4-12(15-14-17-16-13(5-2)20-14)10-6-8-11(9-7-10)21(3,18)19/h6-9,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyJVQSMGNPFARYDZ-LBPRGKRZSA-N
XLogP2.60
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine (CID 97206992) is 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine is CCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JVQSMGNPFARYDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-12(15-14-17-16-13(5-2)20-14)10-6-8-11(9-7-10)21(3,18)19/h6-9,12H,4-5H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine?
5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 309.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97206992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).