3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide

C16H12ClN3O4 — CID 9366641

IUPAC3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H12ClN3O4/c1-9-13(14(20-24-9)10-5-2-3-6-11(10)17)16(22)19-18-15(21)12-7-4-8-23-12/h2-8H,1H3,(H,18,21)(H,19,22)
InChIKeyFDMUYFUHRPZDEA-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.97
Rot. Bonds3

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

3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9366641) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID9366641
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H12ClN3O4/c1-9-13(14(20-24-9)10-5-2-3-6-11(10)17)16(22)19-18-15(21)12-7-4-8-23-12/h2-8H,1H3,(H,18,21)(H,19,22)
InChIKeyFDMUYFUHRPZDEA-UHFFFAOYSA-N
XLogP2.97
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.97
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

3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91630452
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2809427
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide (CID 9366641) is 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is FDMUYFUHRPZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c1-9-13(14(20-24-9)10-5-2-3-6-11(10)17)16(22)19-18-15(21)12-7-4-8-23-12/h2-8H,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 345.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9366641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).