N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C22H28N4O2 — CID 46882708

IUPACN-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC
InChIInChI=1S/C22H28N4O2/c1-3-23-19-14-16(8-9-20(19)27-2)15-26-12-10-17(11-13-26)24-22-25-18-6-4-5-7-21(18)28-22/h4-9,14,17,23H,3,10-13,15H2,1-2H3,(H,24,25)
InChIKeyYVXMFUHTLHNJGZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.34
Rot. Bonds7

About N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 46882708) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID46882708
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC
InChIInChI=1S/C22H28N4O2/c1-3-23-19-14-16(8-9-20(19)27-2)15-26-12-10-17(11-13-26)24-22-25-18-6-4-5-7-21(18)28-22/h4-9,14,17,23H,3,10-13,15H2,1-2H3,(H,24,25)
InChIKeyYVXMFUHTLHNJGZ-UHFFFAOYSA-N
XLogP4.34
TPSA62.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 46882708) is N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC.
What is the InChIKey of N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is YVXMFUHTLHNJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-23-19-14-16(8-9-20(19)27-2)15-26-12-10-17(11-13-26)24-22-25-18-6-4-5-7-21(18)28-22/h4-9,14,17,23H,3,10-13,15H2,1-2H3,(H,24,25).
What are the key properties of N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 380.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(ethylamino)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46882708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).