4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine

C16H22N2O — CID 66201314

IUPAC4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CC(C)(C)C)cc1C
InChIInChI=1S/C16H22N2O/c1-10-6-7-12(8-11(10)2)14-13(9-16(3,4)5)19-18-15(14)17/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeyPFFXEMFORSMITK-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.13
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine

4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine (PubChem CID 66201314) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
PubChem CID66201314
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CC(C)(C)C)cc1C
InChIInChI=1S/C16H22N2O/c1-10-6-7-12(8-11(10)2)14-13(9-16(3,4)5)19-18-15(14)17/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeyPFFXEMFORSMITK-UHFFFAOYSA-N
XLogP4.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine (CID 66201314) is 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2CC(C)(C)C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
The InChIKey is PFFXEMFORSMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-6-7-12(8-11(10)2)14-13(9-16(3,4)5)19-18-15(14)17/h6-8H,9H2,1-5H3,(H2,17,18).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine?
4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine has a molecular weight of 258.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).