N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide

C13H18N2O3 — CID 164634692

IUPACN-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
SMILESCc1cc(COCC(=O)N[C@@H]2CC=CCC2)on1
InChIInChI=1S/C13H18N2O3/c1-10-7-12(18-15-10)8-17-9-13(16)14-11-5-3-2-4-6-11/h2-3,7,11H,4-6,8-9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyQPYOQFUABRNOMS-LLVKDONJSA-N
MW250.30 g/mol
LogP1.72
Rot. Bonds5

About N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide

N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide (PubChem CID 164634692) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
PubChem CID164634692
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
SMILESCc1cc(COCC(=O)N[C@@H]2CC=CCC2)on1
InChIInChI=1S/C13H18N2O3/c1-10-7-12(18-15-10)8-17-9-13(16)14-11-5-3-2-4-6-11/h2-3,7,11H,4-6,8-9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyQPYOQFUABRNOMS-LLVKDONJSA-N
XLogP1.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide (CID 164634692) is N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide is Cc1cc(COCC(=O)N[C@@H]2CC=CCC2)on1.
What is the InChIKey of N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
The InChIKey is QPYOQFUABRNOMS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-7-12(18-15-10)8-17-9-13(16)14-11-5-3-2-4-6-11/h2-3,7,11H,4-6,8-9H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide?
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 164634692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).