(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone

C16H16ClN3O3 — CID 51076533

IUPAC(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H16ClN3O3/c1-11-10-14(18-23-11)16(22)20-8-6-19(7-9-20)15(21)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyCPSZGCGFAJEVAI-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.23
Rot. Bonds2

About (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 51076533) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID51076533
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H16ClN3O3/c1-11-10-14(18-23-11)16(22)20-8-6-19(7-9-20)15(21)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyCPSZGCGFAJEVAI-UHFFFAOYSA-N
XLogP2.23
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108569421
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
(3-bromophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328430
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
1,3-benzodioxol-5-yl-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110645745
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
(3,4-difluorophenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645884

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (CID 51076533) is (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CPSZGCGFAJEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-11-10-14(18-23-11)16(22)20-8-6-19(7-9-20)15(21)12-2-4-13(17)5-3-12/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 333.78 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51076533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).