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

C18H29N5O2 — CID 129328850

IUPAC(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCC(C)c1noc([C@H](N[C@@H](C)CCn2cccn2)C2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-13(2)17-21-18(25-22-17)16(15-6-11-24-12-7-15)20-14(3)5-10-23-9-4-8-19-23/h4,8-9,13-16,20H,5-7,10-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyCMZUXDXDSDWGEV-GOEBONIOSA-N
MW347.46 g/mol
LogP2.93
Rot. Bonds8

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

(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (PubChem CID 129328850) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
PubChem CID129328850
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCC(C)c1noc([C@H](N[C@@H](C)CCn2cccn2)C2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-13(2)17-21-18(25-22-17)16(15-6-11-24-12-7-15)20-14(3)5-10-23-9-4-8-19-23/h4,8-9,13-16,20H,5-7,10-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyCMZUXDXDSDWGEV-GOEBONIOSA-N
XLogP2.93
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-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-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine (CID 129328850) is (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-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-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine is CC(C)c1noc([C@H](N[C@@H](C)CCn2cccn2)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-pyrazol-1-ylbutan-2-amine?
The InChIKey is CMZUXDXDSDWGEV-GOEBONIOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)17-21-18(25-22-17)16(15-6-11-24-12-7-15)20-14(3)5-10-23-9-4-8-19-23/h4,8-9,13-16,20H,5-7,10-12H2,1-3H3/t14-,16+/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-pyrazol-1-ylbutan-2-amine?
(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 347.46 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 129328850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).