N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine

C17H25N3O — CID 43308421

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCCN1CCCC(C(C)Nc2ccc3oc(C)nc3c2)C1
InChIInChI=1S/C17H25N3O/c1-4-20-9-5-6-14(11-20)12(2)18-15-7-8-17-16(10-15)19-13(3)21-17/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3
InChIKeyKTJPTFLNSKZLFA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 43308421) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
PubChem CID43308421
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCCN1CCCC(C(C)Nc2ccc3oc(C)nc3c2)C1
InChIInChI=1S/C17H25N3O/c1-4-20-9-5-6-14(11-20)12(2)18-15-7-8-17-16(10-15)19-13(3)21-17/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3
InChIKeyKTJPTFLNSKZLFA-UHFFFAOYSA-N
XLogP3.67
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine (CID 43308421) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine is CCN1CCCC(C(C)Nc2ccc3oc(C)nc3c2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is KTJPTFLNSKZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20-9-5-6-14(11-20)12(2)18-15-7-8-17-16(10-15)19-13(3)21-17/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43308421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).