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

C15H15N3O — CID 81100047

IUPAC[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESCCc1ccc2oc(-c3ccc(CN)cn3)nc2c1
InChIInChI=1S/C15H15N3O/c1-2-10-4-6-14-13(7-10)18-15(19-14)12-5-3-11(8-16)9-17-12/h3-7,9H,2,8,16H2,1H3
InChIKeyIDSPULXNMBSCNH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.91
Rot. Bonds3

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

[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (PubChem CID 81100047) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
PubChem CID81100047
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESCCc1ccc2oc(-c3ccc(CN)cn3)nc2c1
InChIInChI=1S/C15H15N3O/c1-2-10-4-6-14-13(7-10)18-15(19-14)12-5-3-11(8-16)9-17-12/h3-7,9H,2,8,16H2,1H3
InChIKeyIDSPULXNMBSCNH-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
[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
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole
CID 100817823
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2-(5-bromo-1-ethylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole iodide
CID 102552397
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891

Frequently Asked Questions

What is the IUPAC name of [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (CID 81100047) is [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is CCc1ccc2oc(-c3ccc(CN)cn3)nc2c1.
What is the InChIKey of [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The InChIKey is IDSPULXNMBSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-10-4-6-14-13(7-10)18-15(19-14)12-5-3-11(8-16)9-17-12/h3-7,9H,2,8,16H2,1H3.
What are the key properties of [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine has a molecular weight of 253.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81100047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).