6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine

C14H13N3O — CID 10105663

IUPAC6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(CCc3ccccn3)cc2o1
InChIInChI=1S/C14H13N3O/c15-14-17-12-7-5-10(9-13(12)18-14)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6H2,(H2,15,17)
InChIKeyDOVHBDIUVSVVSA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds3

About 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine

6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine (PubChem CID 10105663) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine
PubChem CID10105663
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(CCc3ccccn3)cc2o1
InChIInChI=1S/C14H13N3O/c15-14-17-12-7-5-10(9-13(12)18-14)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6H2,(H2,15,17)
InChIKeyDOVHBDIUVSVVSA-UHFFFAOYSA-N
XLogP2.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 10398308
2-(pyridin-2-ylmethylsulfanyl)-1,3-benzoxazol-6-amine
CID 61357703
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-amino-1,3-benzoxazole-6-thiol
CID 130877164
2-methoxy-4-(2-pyridin-2-ylethyl)pyridine
CID 59293409
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
CID 46735356
5-[4-[(1S,2S,4R)-2-[4-(2-pyridin-2-ylethyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 66864726
5-[4-[(1R,2R)-2-[4-(2-pyridin-2-ylethyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 58095612
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
CID 71976114

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine (CID 10105663) is 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine is Nc1nc2ccc(CCc3ccccn3)cc2o1.
What is the InChIKey of 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is DOVHBDIUVSVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14-17-12-7-5-10(9-13(12)18-14)4-6-11-3-1-2-8-16-11/h1-3,5,7-9H,4,6H2,(H2,15,17).
What are the key properties of 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine?
6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10105663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).