1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine

C13H25N3O — CID 113407520

IUPAC1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine
SMILESCc1nc(C)c(CNC(C)CNC(C)(C)C)o1
InChIInChI=1S/C13H25N3O/c1-9(7-15-13(4,5)6)14-8-12-10(2)16-11(3)17-12/h9,14-15H,7-8H2,1-6H3
InChIKeyUGEIDAWXNSYTDT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.16
Rot. Bonds5

About 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine

1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 113407520) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine
PubChem CID113407520
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine
SMILESCc1nc(C)c(CNC(C)CNC(C)(C)C)o1
InChIInChI=1S/C13H25N3O/c1-9(7-15-13(4,5)6)14-8-12-10(2)16-11(3)17-12/h9,14-15H,7-8H2,1-6H3
InChIKeyUGEIDAWXNSYTDT-UHFFFAOYSA-N
XLogP2.16
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine (CID 113407520) is 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine is Cc1nc(C)c(CNC(C)CNC(C)(C)C)o1.
What is the InChIKey of 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is UGEIDAWXNSYTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(7-15-13(4,5)6)14-8-12-10(2)16-11(3)17-12/h9,14-15H,7-8H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 239.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113407520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).