(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine

C17H28N6O2 — CID 129328947

IUPAC(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(C)c1noc([C@H](N[C@@H](C)CCn2cncn2)C2CCOCC2)n1
InChIInChI=1S/C17H28N6O2/c1-12(2)16-21-17(25-22-16)15(14-5-8-24-9-6-14)20-13(3)4-7-23-11-18-10-19-23/h10-15,20H,4-9H2,1-3H3/t13-,15+/m0/s1
InChIKeyCVABLHGANXGAKZ-DZGCQCFKSA-N
MW348.45 g/mol
LogP2.32
Rot. Bonds8

About (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine

(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 129328947) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID129328947
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(C)c1noc([C@H](N[C@@H](C)CCn2cncn2)C2CCOCC2)n1
InChIInChI=1S/C17H28N6O2/c1-12(2)16-21-17(25-22-16)15(14-5-8-24-9-6-14)20-13(3)4-7-23-11-18-10-19-23/h10-15,20H,4-9H2,1-3H3/t13-,15+/m0/s1
InChIKeyCVABLHGANXGAKZ-DZGCQCFKSA-N
XLogP2.32
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine (CID 129328947) is (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine is CC(C)c1noc([C@H](N[C@@H](C)CCn2cncn2)C2CCOCC2)n1.
What is the InChIKey of (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is CVABLHGANXGAKZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-12(2)16-21-17(25-22-16)15(14-5-8-24-9-6-14)20-13(3)4-7-23-11-18-10-19-23/h10-15,20H,4-9H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 129328947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).