3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine

C14H18N2O — CID 82474477

IUPAC3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(N)on1
InChIInChI=1S/C14H18N2O/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-13(15)17-16-12/h5-8H,15H2,1-4H3
InChIKeyYUSYIHGJWMHQFV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.53
Rot. Bonds1

About 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine

3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 82474477) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID82474477
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(N)on1
InChIInChI=1S/C14H18N2O/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-13(15)17-16-12/h5-8H,15H2,1-4H3
InChIKeyYUSYIHGJWMHQFV-UHFFFAOYSA-N
XLogP3.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine (CID 82474477) is 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(C(C)(C)C)ccc1-c1cc(N)on1.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is YUSYIHGJWMHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-13(15)17-16-12/h5-8H,15H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine?
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82474477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).