N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine

C10H14N2O — CID 69161905

IUPACN-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(NC2CC=CCC2)on1
InChIInChI=1S/C10H14N2O/c1-8-7-10(13-12-8)11-9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3
InChIKeyNFDGRXNYFSXPET-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.50
Rot. Bonds2

About N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine

N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine (PubChem CID 69161905) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine
PubChem CID69161905
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(NC2CC=CCC2)on1
InChIInChI=1S/C10H14N2O/c1-8-7-10(13-12-8)11-9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3
InChIKeyNFDGRXNYFSXPET-UHFFFAOYSA-N
XLogP2.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.50
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 N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine (CID 69161905) is N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine is Cc1cc(NC2CC=CCC2)on1.
What is the InChIKey of N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine?
The InChIKey is NFDGRXNYFSXPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-7-10(13-12-8)11-9-5-3-2-4-6-9/h2-3,7,9,11H,4-6H2,1H3.
What are the key properties of N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine?
N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine has a molecular weight of 178.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 69161905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).