N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C21H26N4O3 — CID 46882709

IUPACN-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cnc1OC
InChIInChI=1S/C21H26N4O3/c1-3-27-19-12-15(13-22-20(19)26-2)14-25-10-8-16(9-11-25)23-21-24-17-6-4-5-7-18(17)28-21/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24)
InChIKeyDHMZIVVRKKMROM-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.71
Rot. Bonds7

About N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 46882709) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID46882709
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cnc1OC
InChIInChI=1S/C21H26N4O3/c1-3-27-19-12-15(13-22-20(19)26-2)14-25-10-8-16(9-11-25)23-21-24-17-6-4-5-7-18(17)28-21/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24)
InChIKeyDHMZIVVRKKMROM-UHFFFAOYSA-N
XLogP3.71
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 46882709) is N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cnc1OC.
What is the InChIKey of N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is DHMZIVVRKKMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-27-19-12-15(13-22-20(19)26-2)14-25-10-8-16(9-11-25)23-21-24-17-6-4-5-7-18(17)28-21/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 382.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-ethoxy-6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46882709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).