4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine

C10H15IN2O — CID 130847579

IUPAC4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine
SMILESCC1CCCC(c2onc(N)c2I)C1
InChIInChI=1S/C10H15IN2O/c1-6-3-2-4-7(5-6)9-8(11)10(12)13-14-9/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyCMTJIBISCOBDOR-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.16
Rot. Bonds1

About 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine

4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine (PubChem CID 130847579) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine
PubChem CID130847579
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine
SMILESCC1CCCC(c2onc(N)c2I)C1
InChIInChI=1S/C10H15IN2O/c1-6-3-2-4-7(5-6)9-8(11)10(12)13-14-9/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyCMTJIBISCOBDOR-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine (CID 130847579) is 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine is CC1CCCC(c2onc(N)c2I)C1.
What is the InChIKey of 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine?
The InChIKey is CMTJIBISCOBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-6-3-2-4-7(5-6)9-8(11)10(12)13-14-9/h6-7H,2-5H2,1H3,(H2,12,13).
What are the key properties of 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine?
4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine has a molecular weight of 306.15 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 130847579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).