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

C12H19N3O3 — CID 126821643

IUPACN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
SMILESCC(=O)NC1(c2nc(C(C)C)no2)CCOCC1
InChIInChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-15-10)12(14-9(3)16)4-6-17-7-5-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyVQAHWPWVRLCLHR-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.33
Rot. Bonds3

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

N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide (PubChem CID 126821643) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
PubChem CID126821643
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
SMILESCC(=O)NC1(c2nc(C(C)C)no2)CCOCC1
InChIInChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-15-10)12(14-9(3)16)4-6-17-7-5-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyVQAHWPWVRLCLHR-UHFFFAOYSA-N
XLogP1.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide (CID 126821643) is N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide is CC(=O)NC1(c2nc(C(C)C)no2)CCOCC1.
What is the InChIKey of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
The InChIKey is VQAHWPWVRLCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-15-10)12(14-9(3)16)4-6-17-7-5-12/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide?
N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 126821643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).