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

C20H16N4O3 — CID 166219072

IUPACN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1
InChIInChI=1S/C20H16N4O3/c1-11-7-8-13(20-21-12(2)10-27-20)9-16(11)22-19(26)17-14-5-3-4-6-15(14)18(25)24-23-17/h3-10H,1-2H3,(H,22,26)(H,24,25)
InChIKeyCDLVDXHESLFQMP-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.45
Rot. Bonds3

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

N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 166219072) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID166219072
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1
InChIInChI=1S/C20H16N4O3/c1-11-7-8-13(20-21-12(2)10-27-20)9-16(11)22-19(26)17-14-5-3-4-6-15(14)18(25)24-23-17/h3-10H,1-2H3,(H,22,26)(H,24,25)
InChIKeyCDLVDXHESLFQMP-UHFFFAOYSA-N
XLogP3.45
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166219078
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18076741
3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
N-(2,4-dimethyl-5-nitrophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2511469
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 166224779
2-(2-methoxyethylamino)-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]acetamide;hydrochloride
CID 119817439
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 155501513
2-[2-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119163760

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 166219072) is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is Cc1coc(-c2ccc(C)c(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1.
What is the InChIKey of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is CDLVDXHESLFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-11-7-8-13(20-21-12(2)10-27-20)9-16(11)22-19(26)17-14-5-3-4-6-15(14)18(25)24-23-17/h3-10H,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 166219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).