3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide

C10H10ClN3O2 — CID 14998678

IUPAC3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESNNC(=O)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(15)13-12/h1-4,9H,5,12H2,(H,13,15)
InChIKeyHGFQVESNMNEXKD-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.82
Rot. Bonds2

About 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide

3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide (PubChem CID 14998678) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
PubChem CID14998678
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
SMILESNNC(=O)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(15)13-12/h1-4,9H,5,12H2,(H,13,15)
InChIKeyHGFQVESNMNEXKD-UHFFFAOYSA-N
XLogP0.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712265
(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064
3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
N-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158098
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963515
(5R)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 1485147
[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7260075
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
3-(4-phenoxyphenyl)-N-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46218216
N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491412
4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]benzohydrazide
CID 4244847

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The IUPAC name of 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide (CID 14998678) is 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide is NNC(=O)C1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
The InChIKey is HGFQVESNMNEXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)8-5-9(16-14-8)10(15)13-12/h1-4,9H,5,12H2,(H,13,15).
What are the key properties of 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide?
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide has a molecular weight of 239.66 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 14998678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).