5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide

C13H18N4O3 — CID 80582703

IUPAC5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C13H18N4O3/c1-8(2)17-5-4-16(13(17)19)7-10-6-11(12(18)15-14)20-9(10)3/h4-6,8H,7,14H2,1-3H3,(H,15,18)
InChIKeyNZYCKBSYZSFPEZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.78
Rot. Bonds4

About 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide

5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 80582703) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID80582703
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C13H18N4O3/c1-8(2)17-5-4-16(13(17)19)7-10-6-11(12(18)15-14)20-9(10)3/h4-6,8H,7,14H2,1-3H3,(H,15,18)
InChIKeyNZYCKBSYZSFPEZ-UHFFFAOYSA-N
XLogP0.78
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582837
5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
CID 104735546
5-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80582932
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63579238
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 65301099

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide (CID 80582703) is 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is NZYCKBSYZSFPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(2)17-5-4-16(13(17)19)7-10-6-11(12(18)15-14)20-9(10)3/h4-6,8H,7,14H2,1-3H3,(H,15,18).
What are the key properties of 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 278.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 80582703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).