1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone

C18H24N4O4 — CID 78882569

IUPAC1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1
InChIInChI=1S/C18H24N4O4/c1-12-9-15(14(3)22(12)16-10-13(2)26-19-16)18(24)21-7-5-20(6-8-21)17(23)11-25-4/h9-10H,5-8,11H2,1-4H3
InChIKeyBLTZNVYAMQWRLP-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.32
Rot. Bonds4

About 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 78882569) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID78882569
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1
InChIInChI=1S/C18H24N4O4/c1-12-9-15(14(3)22(12)16-10-13(2)26-19-16)18(24)21-7-5-20(6-8-21)17(23)11-25-4/h9-10H,5-8,11H2,1-4H3
InChIKeyBLTZNVYAMQWRLP-UHFFFAOYSA-N
XLogP1.32
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone (CID 78882569) is 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1.
What is the InChIKey of 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is BLTZNVYAMQWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-9-15(14(3)22(12)16-10-13(2)26-19-16)18(24)21-7-5-20(6-8-21)17(23)11-25-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 360.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 78882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).