(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C15H23N5O2 — CID 129329834

IUPAC(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1noc([C@@H](N[C@@H](C)Cn2cccn2)C2CCOCC2)n1
InChIInChI=1S/C15H23N5O2/c1-11(10-20-7-3-6-16-20)17-14(13-4-8-21-9-5-13)15-18-12(2)19-22-15/h3,6-7,11,13-14,17H,4-5,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyGUBAZBJVNMGFSK-FZMZJTMJSA-N
MW305.38 g/mol
LogP1.72
Rot. Bonds6

About (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 129329834) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID129329834
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1noc([C@@H](N[C@@H](C)Cn2cccn2)C2CCOCC2)n1
InChIInChI=1S/C15H23N5O2/c1-11(10-20-7-3-6-16-20)17-14(13-4-8-21-9-5-13)15-18-12(2)19-22-15/h3,6-7,11,13-14,17H,4-5,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyGUBAZBJVNMGFSK-FZMZJTMJSA-N
XLogP1.72
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 129329834) is (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1noc([C@@H](N[C@@H](C)Cn2cccn2)C2CCOCC2)n1.
What is the InChIKey of (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is GUBAZBJVNMGFSK-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(10-20-7-3-6-16-20)17-14(13-4-8-21-9-5-13)15-18-12(2)19-22-15/h3,6-7,11,13-14,17H,4-5,8-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 305.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 129329834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).