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

C17H15N3O4 — CID 7809111

IUPAC5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H15N3O4/c1-10-13(8-9-23-10)16(21)18-19-17(22)14-11(2)24-20-15(14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNWIHTBIEYLIMRO-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.63
Rot. Bonds3

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

5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 7809111) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID7809111
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H15N3O4/c1-10-13(8-9-23-10)16(21)18-19-17(22)14-11(2)24-20-15(14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNWIHTBIEYLIMRO-UHFFFAOYSA-N
XLogP2.63
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.63
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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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 29227737
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 9033711
N'-(4-bromo-1H-pyrrole-2-carbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 31597486
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
5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 40672321
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
CID 16745878

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide (CID 7809111) is 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is NWIHTBIEYLIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10-13(8-9-23-10)16(21)18-19-17(22)14-11(2)24-20-15(14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide?
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 325.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 7809111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).