N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

C15H15N3O3 — CID 2818740

IUPACN'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C15H15N3O3/c1-9-12(15(20)17-16-14(19)11-7-8-11)13(18-21-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyPGBSFOIJDDGYAJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.82
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide

N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 2818740) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID2818740
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2)c1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C15H15N3O3/c1-9-12(15(20)17-16-14(19)11-7-8-11)13(18-21-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyPGBSFOIJDDGYAJ-UHFFFAOYSA-N
XLogP1.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 2818740) is N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is PGBSFOIJDDGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-12(15(20)17-16-14(19)11-7-8-11)13(18-21-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide?
N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 285.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2818740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).