(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

C15H16ClN3O2 — CID 17095612

IUPAC(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C(=O)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H16ClN3O2/c1-11-13(16)14(21-17-11)15(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyAQKONJURZJRTQP-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.60
Rot. Bonds2

About (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17095612) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17095612
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C(=O)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H16ClN3O2/c1-11-13(16)14(21-17-11)15(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyAQKONJURZJRTQP-UHFFFAOYSA-N
XLogP2.60
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
5-Methylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 3245439
4-Chloro-3-methylisoxazol-5-yl 4-(4-fluorophenyl)piperazinyl ketone
CID 5308711
3-Methylisoxazol-5-yl 4-benzylpiperazinyl ketone
CID 7452861
[4-(4-Fluorophenyl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 8065346
N-benzyl-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 9550479
4-chloro-3-methyl-N-(4-methylphenyl)-5-isoxazolecarboxamide
CID 9550985
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
CID 9550988
4-(5-Chloro-2-methylphenyl)piperazinyl 3-methylisoxazol-5-yl ketone
CID 16383064
4-Chloro-3-methylisoxazol-5-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 17095613
4-chloro-N,3-dimethyl-N-phenylisoxazole-5-carboxamide
CID 6622837
4-chloro-N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 17095607

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CID 17095612) is (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1noc(C(=O)N2CCN(c3ccccc3)CC2)c1Cl.
What is the InChIKey of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AQKONJURZJRTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-11-13(16)14(21-17-11)15(20)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
(4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 305.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1,2-oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17095612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).