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[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone

C24H25N5O3 — CID 141215117

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cc2nncc3c2CCCC3)c1)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C24H25N5O3/c30-23(28-10-12-29(13-11-28)24(31)22-8-9-26-32-22)18-6-3-4-17(14-18)15-21-20-7-2-1-5-19(20)16-25-27-21/h3-4,6,8-9,14,16H,1-2,5,7,10-13,15H2
InChIKeyYZMLYYLJRXKCRE-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.53
Rot. Bonds4

About [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone

[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone (PubChem CID 141215117) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone
PubChem CID141215117
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cc2nncc3c2CCCC3)c1)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C24H25N5O3/c30-23(28-10-12-29(13-11-28)24(31)22-8-9-26-32-22)18-6-3-4-17(14-18)15-21-20-7-2-1-5-19(20)16-25-27-21/h3-4,6,8-9,14,16H,1-2,5,7,10-13,15H2
InChIKeyYZMLYYLJRXKCRE-UHFFFAOYSA-N
XLogP2.53
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone (CID 141215117) is [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cc2nncc3c2CCCC3)c1)N1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone?
The InChIKey is YZMLYYLJRXKCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-23(28-10-12-29(13-11-28)24(31)22-8-9-26-32-22)18-6-3-4-17(14-18)15-21-20-7-2-1-5-19(20)16-25-27-21/h3-4,6,8-9,14,16H,1-2,5,7,10-13,15H2.
What are the key properties of [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone?
[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone has a molecular weight of 431.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-[3-(5,6,7,8-tetrahydrophthalazin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 141215117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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