N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine

C14H22N4O — CID 122693177

IUPACN-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2ncc(C(C)(C)C)[nH]2)co1
InChIInChI=1S/C14H22N4O/c1-13(2,3)10-7-15-11(17-10)9-8-19-12(16-9)18-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
InChIKeyDIKAHKPHCQJHPH-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.57
Rot. Bonds2

About N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine

N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine (PubChem CID 122693177) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine
PubChem CID122693177
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2ncc(C(C)(C)C)[nH]2)co1
InChIInChI=1S/C14H22N4O/c1-13(2,3)10-7-15-11(17-10)9-8-19-12(16-9)18-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
InChIKeyDIKAHKPHCQJHPH-UHFFFAOYSA-N
XLogP3.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine?
The IUPAC name of N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine (CID 122693177) is N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine is CC(C)(C)Nc1nc(-c2ncc(C(C)(C)C)[nH]2)co1.
What is the InChIKey of N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine?
The InChIKey is DIKAHKPHCQJHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-13(2,3)10-7-15-11(17-10)9-8-19-12(16-9)18-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine?
N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 122693177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).