5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

C20H21ClN4O — CID 91844297

IUPAC5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1
InChIInChI=1S/C20H21ClN4O/c1-15-2-3-17(21)12-20(15)25-10-8-24(9-11-25)14-18-13-19(23-26-18)16-4-6-22-7-5-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyDDPAUYKTUGQNMU-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.02
Rot. Bonds4

About 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (PubChem CID 91844297) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
PubChem CID91844297
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1
InChIInChI=1S/C20H21ClN4O/c1-15-2-3-17(21)12-20(15)25-10-8-24(9-11-25)14-18-13-19(23-26-18)16-4-6-22-7-5-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyDDPAUYKTUGQNMU-UHFFFAOYSA-N
XLogP4.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 166308022
5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91839693
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 8591071
[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
CID 166305250
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (CID 91844297) is 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is Cc1ccc(Cl)cc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1.
What is the InChIKey of 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is DDPAUYKTUGQNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-15-2-3-17(21)12-20(15)25-10-8-24(9-11-25)14-18-13-19(23-26-18)16-4-6-22-7-5-16/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole has a molecular weight of 368.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 91844297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).