[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine

C15H19ClN4O — CID 62424244

IUPAC[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)on1
InChIInChI=1S/C15H19ClN4O/c16-12-2-1-3-14(8-12)20-6-4-19(5-7-20)11-15-9-13(10-17)18-21-15/h1-3,8-9H,4-7,10-11,17H2
InChIKeyDGKHWENJQQQBDZ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.11
Rot. Bonds4

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

[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62424244) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62424244
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)on1
InChIInChI=1S/C15H19ClN4O/c16-12-2-1-3-14(8-12)20-6-4-19(5-7-20)11-15-9-13(10-17)18-21-15/h1-3,8-9H,4-7,10-11,17H2
InChIKeyDGKHWENJQQQBDZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine (CID 62424244) is [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine is NCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)on1.
What is the InChIKey of [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is DGKHWENJQQQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-12-2-1-3-14(8-12)20-6-4-19(5-7-20)11-15-9-13(10-17)18-21-15/h1-3,8-9H,4-7,10-11,17H2.
What are the key properties of [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 306.80 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62424244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).