2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide

C12H19N3O4 — CID 167937464

IUPAC2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCC(C)c1noc(NC(=O)COC2CCOCC2)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)11-14-12(19-15-11)13-10(16)7-18-9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyODTSKVCZTNAHGY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.33
Rot. Bonds5

About 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide

2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 167937464) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID167937464
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCC(C)c1noc(NC(=O)COC2CCOCC2)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)11-14-12(19-15-11)13-10(16)7-18-9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyODTSKVCZTNAHGY-UHFFFAOYSA-N
XLogP1.33
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
CID 119349069
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
CID 113414322
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 128994165
4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 129472303
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172
1-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide (CID 167937464) is 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide is CC(C)c1noc(NC(=O)COC2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is ODTSKVCZTNAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)11-14-12(19-15-11)13-10(16)7-18-9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide?
2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 167937464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).