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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Related Compounds

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580730
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
N-(3-(3-aminobenzo[d]isoxazol-6-yl)-4-methylphenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580777
7-(trifluoromethyl)-N-(6-(trifluoromethyl)pyridin-3-yl)benzo[d]isoxazol-3-amine
CID 45484895
6-(pyridin-3-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484932
6-(pyridin-4-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484933
6-(3-methylpyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484958
4-(3-Methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine
CID 166630774

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).