5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine

C14H14N4O — CID 178129737

IUPAC5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine
SMILESCN(C)c1noc2ccc(-c3ccnc(N)c3)cc12
InChIInChI=1S/C14H14N4O/c1-18(2)14-11-7-9(3-4-12(11)19-17-14)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H2,15,16)
InChIKeyXBWHHPCKFJFMKK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds2

About 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine

5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine (PubChem CID 178129737) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine
PubChem CID178129737
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine
SMILESCN(C)c1noc2ccc(-c3ccnc(N)c3)cc12
InChIInChI=1S/C14H14N4O/c1-18(2)14-11-7-9(3-4-12(11)19-17-14)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H2,15,16)
InChIKeyXBWHHPCKFJFMKK-UHFFFAOYSA-N
XLogP2.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine (CID 178129737) is 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine is CN(C)c1noc2ccc(-c3ccnc(N)c3)cc12.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine?
The InChIKey is XBWHHPCKFJFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(2)14-11-7-9(3-4-12(11)19-17-14)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H2,15,16).
What are the key properties of 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine?
5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine has a molecular weight of 254.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-N,N-dimethyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 178129737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).