5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine

C14H19N3O — CID 117038901

IUPAC5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
SMILESCc1cc(C)c(N(C)Cc2cc(N)no2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-5-11(3)13(6-10(9)2)17(4)8-12-7-14(15)16-18-12/h5-7H,8H2,1-4H3,(H2,15,16)
InChIKeyUMMBJZBEDVYZOF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.82
Rot. Bonds3

About 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine

5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine (PubChem CID 117038901) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
PubChem CID117038901
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
SMILESCc1cc(C)c(N(C)Cc2cc(N)no2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-5-11(3)13(6-10(9)2)17(4)8-12-7-14(15)16-18-12/h5-7H,8H2,1-4H3,(H2,15,16)
InChIKeyUMMBJZBEDVYZOF-UHFFFAOYSA-N
XLogP2.82
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine (CID 117038901) is 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine is Cc1cc(C)c(N(C)Cc2cc(N)no2)cc1C.
What is the InChIKey of 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine?
The InChIKey is UMMBJZBEDVYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-11(3)13(6-10(9)2)17(4)8-12-7-14(15)16-18-12/h5-7H,8H2,1-4H3,(H2,15,16).
What are the key properties of 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine?
5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).