2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide

C12H16N2O2 — CID 29132242

IUPAC2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CC1=CCCCC1)NCc1ccon1
InChIInChI=1S/C12H16N2O2/c15-12(8-10-4-2-1-3-5-10)13-9-11-6-7-16-14-11/h4,6-7H,1-3,5,8-9H2,(H,13,15)
InChIKeyHDPKZCAPJFCSCA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 29132242) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID29132242
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CC1=CCCCC1)NCc1ccon1
InChIInChI=1S/C12H16N2O2/c15-12(8-10-4-2-1-3-5-10)13-9-11-6-7-16-14-11/h4,6-7H,1-3,5,8-9H2,(H,13,15)
InChIKeyHDPKZCAPJFCSCA-UHFFFAOYSA-N
XLogP2.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 29132242) is 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide is O=C(CC1=CCCCC1)NCc1ccon1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is HDPKZCAPJFCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(8-10-4-2-1-3-5-10)13-9-11-6-7-16-14-11/h4,6-7H,1-3,5,8-9H2,(H,13,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 220.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 29132242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).