N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

C16H22N4O — CID 62424365

IUPACN-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(CN2CCN(c3ccccc3)CC2)on1
InChIInChI=1S/C16H22N4O/c1-17-12-14-11-16(21-18-14)13-19-7-9-20(10-8-19)15-5-3-2-4-6-15/h2-6,11,17H,7-10,12-13H2,1H3
InChIKeyNRORTVXBWWULIT-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62424365) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62424365
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(CN2CCN(c3ccccc3)CC2)on1
InChIInChI=1S/C16H22N4O/c1-17-12-14-11-16(21-18-14)13-19-7-9-20(10-8-19)15-5-3-2-4-6-15/h2-6,11,17H,7-10,12-13H2,1H3
InChIKeyNRORTVXBWWULIT-UHFFFAOYSA-N
XLogP1.72
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 114413098
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
CID 56775812
1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62431704
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[(1S,3S)-2,2-dimethyl-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclobutyl]-4-methoxybenzamide
CID 56774381
1-(4-acetylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 162874779
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (CID 62424365) is N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is CNCc1cc(CN2CCN(c3ccccc3)CC2)on1.
What is the InChIKey of N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is NRORTVXBWWULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-12-14-11-16(21-18-14)13-19-7-9-20(10-8-19)15-5-3-2-4-6-15/h2-6,11,17H,7-10,12-13H2,1H3.
What are the key properties of N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62424365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).