N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide

C20H27N3O2 — CID 50950077

IUPACN-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide
SMILESCc1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC(C)C)O2)n[nH]1
InChIInChI=1S/C20H27N3O2/c1-13(2)9-17-11-16(21-20(24)15-7-5-4-6-8-15)12-19(25-17)18-10-14(3)22-23-18/h4-8,10,13,16-17,19H,9,11-12H2,1-3H3,(H,21,24)(H,22,23)/t16-,17+,19+/m1/s1
InChIKeyOSSAOBDTIZDIOB-AOIWGVFYSA-N
MW341.46 g/mol
LogP3.78
Rot. Bonds5

About N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide

N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide (PubChem CID 50950077) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide
PubChem CID50950077
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide
SMILESCc1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC(C)C)O2)n[nH]1
InChIInChI=1S/C20H27N3O2/c1-13(2)9-17-11-16(21-20(24)15-7-5-4-6-8-15)12-19(25-17)18-10-14(3)22-23-18/h4-8,10,13,16-17,19H,9,11-12H2,1-3H3,(H,21,24)(H,22,23)/t16-,17+,19+/m1/s1
InChIKeyOSSAOBDTIZDIOB-AOIWGVFYSA-N
XLogP3.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide (CID 50950077) is N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide is Cc1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC(C)C)O2)n[nH]1.
What is the InChIKey of N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is OSSAOBDTIZDIOB-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)9-17-11-16(21-20(24)15-7-5-4-6-8-15)12-19(25-17)18-10-14(3)22-23-18/h4-8,10,13,16-17,19H,9,11-12H2,1-3H3,(H,21,24)(H,22,23)/t16-,17+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide?
N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(2-methylpropyl)-6-(5-methyl-1H-pyrazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 50950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).