N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide

C14H18N4O2 — CID 9478

IUPACN'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C14H18N4O2/c1-10-8-13(17-20-10)14(19)16-15-9-11-4-6-12(7-5-11)18(2)3/h4-8,15H,9H2,1-3H3,(H,16,19)
InChIKeySXJCEOAHKNQDJQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds5

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

N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 9478) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID9478
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C14H18N4O2/c1-10-8-13(17-20-10)14(19)16-15-9-11-4-6-12(7-5-11)18(2)3/h4-8,15H,9H2,1-3H3,(H,16,19)
InChIKeySXJCEOAHKNQDJQ-UHFFFAOYSA-N
XLogP1.48
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3759
N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide
CID 840953
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
N'-(2,4-dimethylphenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812367
N'-(3,4-dimethylphenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812483
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N1-phenyl-2-[(5-methylisoxazol-3-yl)carbonyl]hydrazine-1-carboxamide
CID 2743502
3-Isoxazolecarboxylic acid, 5-methyl-, 2-(alpha-methylphenethyl)hydrazide
CID 43479
5-Methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3073021
D-2624
CID 3076169
N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3238202

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide (CID 9478) is N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNCc2ccc(N(C)C)cc2)no1.
What is the InChIKey of N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is SXJCEOAHKNQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-13(17-20-10)14(19)16-15-9-11-4-6-12(7-5-11)18(2)3/h4-8,15H,9H2,1-3H3,(H,16,19).
What are the key properties of N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 9478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).