5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide

C20H15N5O4 — CID 40672321

IUPAC5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H15N5O4/c1-11-15(16(25-29-11)12-7-3-2-4-8-12)19(27)23-24-20(28)17-13-9-5-6-10-14(13)18(26)22-21-17/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyHPVRTEGWTYDLSE-UHFFFAOYSA-N
MW389.37 g/mol
LogP1.96
Rot. Bonds3

About 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide

5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 40672321) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID40672321
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H15N5O4/c1-11-15(16(25-29-11)12-7-3-2-4-8-12)19(27)23-24-20(28)17-13-9-5-6-10-14(13)18(26)22-21-17/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyHPVRTEGWTYDLSE-UHFFFAOYSA-N
XLogP1.96
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
CID 27565264
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7809111
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N'-(4-bromo-1H-pyrrole-2-carbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 31597486
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 78780136
N'-[2-(4-chlorophenyl)acetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 29227737
N'-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873731
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 9033711
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 40672321) is 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is HPVRTEGWTYDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-11-15(16(25-29-11)12-7-3-2-4-8-12)19(27)23-24-20(28)17-13-9-5-6-10-14(13)18(26)22-21-17/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 389.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 40672321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).