(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C16H18ClN3O3 — CID 17095613

IUPAC(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2onc(C)c2Cl)CC1
InChIInChI=1S/C16H18ClN3O3/c1-11-14(17)15(23-18-11)16(21)20-9-7-19(8-10-20)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3
InChIKeyWWMBYQBLKXBCOQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.61
Rot. Bonds3

About (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 17095613) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID17095613
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2onc(C)c2Cl)CC1
InChIInChI=1S/C16H18ClN3O3/c1-11-14(17)15(23-18-11)16(21)20-9-7-19(8-10-20)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3
InChIKeyWWMBYQBLKXBCOQ-UHFFFAOYSA-N
XLogP2.61
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
4-chloro-N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194126
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 10318686
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-5-ylmethyl}-piperidin-2-one
CID 12134986
4-Chloro-3-methylisoxazol-5-yl 4-(4-fluorophenyl)piperazinyl ketone
CID 5308711
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-piperidin-2-one; hydrochloride
CID 10811627
4-Chloro-3-methylisoxazol-5-yl 4-phenylpiperazinyl ketone
CID 17095612
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-azepan-2-one
CID 44318075
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-piperidin-2-one
CID 44460423
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 44460477
1-[[5-[[4-(2-Propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one;hydrochloride
CID 45265064
3,5-Dimethylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 2741374

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 17095613) is (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2onc(C)c2Cl)CC1.
What is the InChIKey of (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WWMBYQBLKXBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11-14(17)15(23-18-11)16(21)20-9-7-19(8-10-20)12-5-3-4-6-13(12)22-2/h3-6H,7-10H2,1-2H3.
What are the key properties of (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 335.79 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17095613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).