1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one

C16H16ClN3O3 — CID 70774838

IUPAC1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)o1
InChIInChI=1S/C16H16ClN3O3/c1-10-15(23-11(2)18-10)16(22)19-7-8-20(14(21)9-19)13-6-4-3-5-12(13)17/h3-6H,7-9H2,1-2H3
InChIKeyWUTVNTCZXJNLQH-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one

1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one (PubChem CID 70774838) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
PubChem CID70774838
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)o1
InChIInChI=1S/C16H16ClN3O3/c1-10-15(23-11(2)18-10)16(22)19-7-8-20(14(21)9-19)13-6-4-3-5-12(13)17/h3-6H,7-9H2,1-2H3
InChIKeyWUTVNTCZXJNLQH-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one (CID 70774838) is 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one is Cc1nc(C)c(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)o1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
The InChIKey is WUTVNTCZXJNLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-15(23-11(2)18-10)16(22)19-7-8-20(14(21)9-19)13-6-4-3-5-12(13)17/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one?
1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one has a molecular weight of 333.78 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70774838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).