N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide

C12H14N4O3 — CID 166283427

IUPACN'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNC(=O)c1cc(C)n(C)c1
InChIInChI=1S/C12H14N4O3/c1-7-4-9(5-16(7)3)11(17)14-15-12(18)10-8(2)19-6-13-10/h4-6H,1-3H3,(H,14,17)(H,15,18)
InChIKeyAYBBHASTQXSTSV-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.70
Rot. Bonds2

About N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide

N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide (PubChem CID 166283427) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
PubChem CID166283427
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNC(=O)c1cc(C)n(C)c1
InChIInChI=1S/C12H14N4O3/c1-7-4-9(5-16(7)3)11(17)14-15-12(18)10-8(2)19-6-13-10/h4-6H,1-3H3,(H,14,17)(H,15,18)
InChIKeyAYBBHASTQXSTSV-UHFFFAOYSA-N
XLogP0.70
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide (CID 166283427) is N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide is Cc1ocnc1C(=O)NNC(=O)c1cc(C)n(C)c1.
What is the InChIKey of N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The InChIKey is AYBBHASTQXSTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-9(5-16(7)3)11(17)14-15-12(18)10-8(2)19-6-13-10/h4-6H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-dimethylpyrrole-3-carbonyl)-5-methyl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 166283427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).