N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine

C13H21N5O — CID 97205590

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(N[C@@H](C)Cn2nc(C)cc2C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-10(3)8-18-11(4)7-9(2)17-18/h7,10H,5-6,8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyFUELCFAUBYMOPJ-JTQLQIEISA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds6

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97205590) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97205590
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(N[C@@H](C)Cn2nc(C)cc2C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-10(3)8-18-11(4)7-9(2)17-18/h7,10H,5-6,8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyFUELCFAUBYMOPJ-JTQLQIEISA-N
XLogP2.34
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
CID 95278887
6-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139572241
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131923791
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine
CID 95127371
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole
CID 19552764
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72848841
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
1-ethyl-3,5-dimethylpyrazole
CID 565993

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97205590) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(N[C@@H](C)Cn2nc(C)cc2C)o1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FUELCFAUBYMOPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-10(3)8-18-11(4)7-9(2)17-18/h7,10H,5-6,8H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97205590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).