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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Related Compounds

N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72892515
3,5-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 133231102
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106960357
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
3-ethyl-1-(4-methylsulfonylphenyl)-N-propylpentan-1-amine
CID 105028458
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
[3-ethyl-1-(4-methylsulfonylphenyl)pentyl]hydrazine
CID 105330976
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
formic acid;7-methyl-N-[1-(4-methylsulfonylphenyl)propyl]purin-2-amine
CID 166598090

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).