3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

C14H16ClN3O — CID 94700421

IUPAC3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CN3CCNCC3)on2)cc1
InChIInChI=1S/C14H16ClN3O/c15-12-3-1-11(2-4-12)14-9-13(19-17-14)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10H2
InChIKeyNOGIETUUINZAJL-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 94700421) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID94700421
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CN3CCNCC3)on2)cc1
InChIInChI=1S/C14H16ClN3O/c15-12-3-1-11(2-4-12)14-9-13(19-17-14)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10H2
InChIKeyNOGIETUUINZAJL-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

3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134018458
2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134018590
3-methoxy-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 96621570
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986720
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91844297
3-(3-chloro-4-fluorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092587
[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758591

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (CID 94700421) is 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is Clc1ccc(-c2cc(CN3CCNCC3)on2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is NOGIETUUINZAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-3-1-11(2-4-12)14-9-13(19-17-14)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10H2.
What are the key properties of 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-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 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 94700421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).