2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide

C11H18N4O2 — CID 128910466

IUPAC2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)n1ncnc1NC(=O)C[C@H]1CCOC1
InChIInChI=1S/C11H18N4O2/c1-8(2)15-11(12-7-13-15)14-10(16)5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14,16)/t9-/m1/s1
InChIKeyYWRCNSSWVSMYRW-SECBINFHSA-N
MW238.29 g/mol
LogP1.22
Rot. Bonds4

About 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide

2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 128910466) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID128910466
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)n1ncnc1NC(=O)C[C@H]1CCOC1
InChIInChI=1S/C11H18N4O2/c1-8(2)15-11(12-7-13-15)14-10(16)5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14,16)/t9-/m1/s1
InChIKeyYWRCNSSWVSMYRW-SECBINFHSA-N
XLogP1.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103986790
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 130710840
N-(5-bromoquinolin-8-yl)-2-(oxolan-3-yl)acetamide
CID 119051811
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767
2-(oxolan-3-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 131928613
2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
CID 136557392
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
3-methyl-1-(oxolan-3-yl)pentan-2-one
CID 103986310
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide (CID 128910466) is 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide is CC(C)n1ncnc1NC(=O)C[C@H]1CCOC1.
What is the InChIKey of 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is YWRCNSSWVSMYRW-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)15-11(12-7-13-15)14-10(16)5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14,16)/t9-/m1/s1.
What are the key properties of 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 128910466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).