2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole

C14H16ClN3O — CID 43348646

IUPAC2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2nc(CN3CCNCC3)co2)c1
InChIInChI=1S/C14H16ClN3O/c15-12-3-1-2-11(8-12)14-17-13(10-19-14)9-18-6-4-16-5-7-18/h1-3,8,10,16H,4-7,9H2
InChIKeyBGXMONVABSKOAT-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.40
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 43348646) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID43348646
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2nc(CN3CCNCC3)co2)c1
InChIInChI=1S/C14H16ClN3O/c15-12-3-1-2-11(8-12)14-17-13(10-19-14)9-18-6-4-16-5-7-18/h1-3,8,10,16H,4-7,9H2
InChIKeyBGXMONVABSKOAT-UHFFFAOYSA-N
XLogP2.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 104976745
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxylic acid
CID 62060574
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 43348646) is 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole is Clc1cccc(-c2nc(CN3CCNCC3)co2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is BGXMONVABSKOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-3-1-2-11(8-12)14-17-13(10-19-14)9-18-6-4-16-5-7-18/h1-3,8,10,16H,4-7,9H2.
What are the key properties of 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 277.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 43348646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).