3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide

C24H19N5O4 — CID 70867849

IUPAC3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)no1
InChIInChI=1S/C24H19N5O4/c1-13-10-20(29-32-13)22-21(14(2)28-33-22)24(31)25-16-7-5-6-15(11-16)12-19-17-8-3-4-9-18(17)23(30)27-26-19/h3-11H,12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXTQMWAQVXSGBBU-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.03
Rot. Bonds5

About 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 70867849) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID70867849
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)no1
InChIInChI=1S/C24H19N5O4/c1-13-10-20(29-32-13)22-21(14(2)28-33-22)24(31)25-16-7-5-6-15(11-16)12-19-17-8-3-4-9-18(17)23(30)27-26-19/h3-11H,12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXTQMWAQVXSGBBU-UHFFFAOYSA-N
XLogP4.03
TPSA126.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 70806948
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3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 2744821
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
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6-fluoro-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide
CID 70807031
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
1-[1-[(3-methylphenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea
CID 69152090
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
tert-butyl N-[3-[(6,7-dimethoxy-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040041
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
CID 69151061
4-[[3-(2,5-dihydroxypyrrol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide (CID 70867849) is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(-c2onc(C)c2C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)no1.
What is the InChIKey of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XTQMWAQVXSGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c1-13-10-20(29-32-13)22-21(14(2)28-33-22)24(31)25-16-7-5-6-15(11-16)12-19-17-8-3-4-9-18(17)23(30)27-26-19/h3-11H,12H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 70867849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).