[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine

C14H13N3O — CID 81098943

IUPAC[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESCc1ccc2oc(-c3ccc(CN)cn3)nc2c1
InChIInChI=1S/C14H13N3O/c1-9-2-5-13-12(6-9)17-14(18-13)11-4-3-10(7-15)8-16-11/h2-6,8H,7,15H2,1H3
InChIKeyCFNSCHDJGHNSAO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.66
Rot. Bonds2

About [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine

[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (PubChem CID 81098943) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
PubChem CID81098943
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESCc1ccc2oc(-c3ccc(CN)cn3)nc2c1
InChIInChI=1S/C14H13N3O/c1-9-2-5-13-12(6-9)17-14(18-13)11-4-3-10(7-15)8-16-11/h2-6,8H,7,15H2,1H3
InChIKeyCFNSCHDJGHNSAO-UHFFFAOYSA-N
XLogP2.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
[6-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81421458
[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
CID 81198834
[6-(6-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 115110735
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764

Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (CID 81098943) is [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is Cc1ccc2oc(-c3ccc(CN)cn3)nc2c1.
What is the InChIKey of [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The InChIKey is CFNSCHDJGHNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-2-5-13-12(6-9)17-14(18-13)11-4-3-10(7-15)8-16-11/h2-6,8H,7,15H2,1H3.
What are the key properties of [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81098943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).