2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine

C19H22N4O2 — CID 155516154

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
SMILESCOc1ccc(CN2CCN(c3nc4cc(N)ccc4o3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-24-16-5-2-14(3-6-16)13-22-8-10-23(11-9-22)19-21-17-12-15(20)4-7-18(17)25-19/h2-7,12H,8-11,13,20H2,1H3
InChIKeyCYRDOTHILGSCAA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.74
Rot. Bonds4

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine (PubChem CID 155516154) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
PubChem CID155516154
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
SMILESCOc1ccc(CN2CCN(c3nc4cc(N)ccc4o3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-24-16-5-2-14(3-6-16)13-22-8-10-23(11-9-22)19-21-17-12-15(20)4-7-18(17)25-19/h2-7,12H,8-11,13,20H2,1H3
InChIKeyCYRDOTHILGSCAA-UHFFFAOYSA-N
XLogP2.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 154762657
[4-(5-amino-1,3-benzoxazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 155535929
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 50964782
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 171335686
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-[2-(4-methoxyphenyl)ethylsulfanyl]-1,3-benzoxazol-5-amine
CID 65444792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine (CID 155516154) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine is COc1ccc(CN2CCN(c3nc4cc(N)ccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine?
The InChIKey is CYRDOTHILGSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-16-5-2-14(3-6-16)13-22-8-10-23(11-9-22)19-21-17-12-15(20)4-7-18(17)25-19/h2-7,12H,8-11,13,20H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine has a molecular weight of 338.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 155516154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).