2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one

C18H18N4O3 — CID 94137715

IUPAC2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1cc([C@H]2CCCN2C(=O)Cn2ncc3ccccc3c2=O)on1
InChIInChI=1S/C18H18N4O3/c1-12-9-16(25-20-12)15-7-4-8-21(15)17(23)11-22-18(24)14-6-3-2-5-13(14)10-19-22/h2-3,5-6,9-10,15H,4,7-8,11H2,1H3/t15-/m1/s1
InChIKeyPCFGVVHZXNLKDL-OAHLLOKOSA-N
MW338.37 g/mol
LogP2.06
Rot. Bonds3

About 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one

2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one (PubChem CID 94137715) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
PubChem CID94137715
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1cc([C@H]2CCCN2C(=O)Cn2ncc3ccccc3c2=O)on1
InChIInChI=1S/C18H18N4O3/c1-12-9-16(25-20-12)15-7-4-8-21(15)17(23)11-22-18(24)14-6-3-2-5-13(14)10-19-22/h2-3,5-6,9-10,15H,4,7-8,11H2,1H3/t15-/m1/s1
InChIKeyPCFGVVHZXNLKDL-OAHLLOKOSA-N
XLogP2.06
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one with MolForge

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Related Compounds

2-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214741
2-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 51492726
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 138992910
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CID 54873423
2-[2-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
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2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
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N-(3,5-dichlorophenyl)-1-[2-(1-oxophthalazin-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 55614167
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238
2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 62113566
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one (CID 94137715) is 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one is Cc1cc([C@H]2CCCN2C(=O)Cn2ncc3ccccc3c2=O)on1.
What is the InChIKey of 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one?
The InChIKey is PCFGVVHZXNLKDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-9-16(25-20-12)15-7-4-8-21(15)17(23)11-22-18(24)14-6-3-2-5-13(14)10-19-22/h2-3,5-6,9-10,15H,4,7-8,11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one?
2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one has a molecular weight of 338.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 94137715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).