3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine

C17H19N3O — CID 118864096

IUPAC3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc2ccc(-c3ccncc3)cc2o1
InChIInChI=1S/C17H19N3O/c1-11(2)9-14(18)17-20-15-4-3-13(10-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3
InChIKeyWAZIGIPMVDLWPN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds4

About 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine

3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine (PubChem CID 118864096) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine
PubChem CID118864096
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc2ccc(-c3ccncc3)cc2o1
InChIInChI=1S/C17H19N3O/c1-11(2)9-14(18)17-20-15-4-3-13(10-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3
InChIKeyWAZIGIPMVDLWPN-UHFFFAOYSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine (CID 118864096) is 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine is CC(C)CC(N)c1nc2ccc(-c3ccncc3)cc2o1.
What is the InChIKey of 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine?
The InChIKey is WAZIGIPMVDLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)9-14(18)17-20-15-4-3-13(10-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3.
What are the key properties of 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine?
3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-pyridin-4-yl-1,3-benzoxazol-2-yl)butan-1-amine is sourced from PubChem (CID 118864096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).