2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine

C13H18N2O — CID 145076273

IUPAC2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine
SMILESCC1(N)C=Cc2nc(C(C)(C)C)oc2C=C1
InChIInChI=1S/C13H18N2O/c1-12(2,3)11-15-9-5-7-13(4,14)8-6-10(9)16-11/h5-8H,14H2,1-4H3
InChIKeyLICKLOZFPYIGBP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.73
Rot. Bonds

About 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine

2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine (PubChem CID 145076273) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine.

Molecular Properties

Compound Name2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine
PubChem CID145076273
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine
SMILESCC1(N)C=Cc2nc(C(C)(C)C)oc2C=C1
InChIInChI=1S/C13H18N2O/c1-12(2,3)11-15-9-5-7-13(4,14)8-6-10(9)16-11/h5-8H,14H2,1-4H3
InChIKeyLICKLOZFPYIGBP-UHFFFAOYSA-N
XLogP2.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine?
The IUPAC name of 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine (CID 145076273) is 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine.
What is the SMILES notation for 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine?
The canonical SMILES for 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine is CC1(N)C=Cc2nc(C(C)(C)C)oc2C=C1.
What is the InChIKey of 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine?
The InChIKey is LICKLOZFPYIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-12(2,3)11-15-9-5-7-13(4,14)8-6-10(9)16-11/h5-8H,14H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine?
2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine has a molecular weight of 218.30 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylcyclohepta[d][1,3]oxazol-6-amine is sourced from PubChem (CID 145076273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).