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

C13H21N5O — CID 97197632

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@H](C)n2nc(C)cc2C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-8-11(4)18-10(3)7-9(2)17-18/h7,11H,5-6,8H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyGADHECCUYSYVCC-NSHDSACASA-N
MW263.34 g/mol
LogP2.51
Rot. Bonds6

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

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97197632) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97197632
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@H](C)n2nc(C)cc2C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-8-11(4)18-10(3)7-9(2)17-18/h7,11H,5-6,8H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyGADHECCUYSYVCC-NSHDSACASA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97197632) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC[C@H](C)n2nc(C)cc2C)o1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GADHECCUYSYVCC-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-8-11(4)18-10(3)7-9(2)17-18/h7,11H,5-6,8H2,1-4H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).