5-cycloheptyl-4-methyl-1,2-oxazol-3-amine

C11H18N2O — CID 66198198

IUPAC5-cycloheptyl-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1CCCCCC1
InChIInChI=1S/C11H18N2O/c1-8-10(14-13-11(8)12)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,12,13)
InChIKeySMZZVGRRLLRSQV-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.00
Rot. Bonds1

About 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine

5-cycloheptyl-4-methyl-1,2-oxazol-3-amine (PubChem CID 66198198) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-4-methyl-1,2-oxazol-3-amine
PubChem CID66198198
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-cycloheptyl-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1CCCCCC1
InChIInChI=1S/C11H18N2O/c1-8-10(14-13-11(8)12)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,12,13)
InChIKeySMZZVGRRLLRSQV-UHFFFAOYSA-N
XLogP3.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine (CID 66198198) is 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1C1CCCCCC1.
What is the InChIKey of 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine?
The InChIKey is SMZZVGRRLLRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-10(14-13-11(8)12)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,12,13).
What are the key properties of 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine?
5-cycloheptyl-4-methyl-1,2-oxazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).