N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C15H25N3O2 — CID 75511076

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14-12(5-6-20-14)9-16-13(19)7-11-8-17-18(4)10-11/h8,10,12,14H,5-7,9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyYDDFHTMYKZZSJW-OCCSQVGLSA-N
MW279.38 g/mol
LogP1.53
Rot. Bonds4

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 75511076) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID75511076
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14-12(5-6-20-14)9-16-13(19)7-11-8-17-18(4)10-11/h8,10,12,14H,5-7,9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1
InChIKeyYDDFHTMYKZZSJW-OCCSQVGLSA-N
XLogP1.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 75511076) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is YDDFHTMYKZZSJW-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)14-12(5-6-20-14)9-16-13(19)7-11-8-17-18(4)10-11/h8,10,12,14H,5-7,9H2,1-4H3,(H,16,19)/t12-,14+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 75511076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).