N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide

C22H16FN3O4 — CID 36702942

IUPACN'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H16FN3O4/c1-13-16(10-11-29-13)20(27)25-26-21(28)17-4-2-3-5-18(17)22-24-12-19(30-22)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyBEMQLNJUHIPJPE-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.12
Rot. Bonds4

About N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide

N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 36702942) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
PubChem CID36702942
Molecular FormulaC22H16FN3O4
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC NameN'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H16FN3O4/c1-13-16(10-11-29-13)20(27)25-26-21(28)17-4-2-3-5-18(17)22-24-12-19(30-22)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyBEMQLNJUHIPJPE-UHFFFAOYSA-N
XLogP4.12
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.12
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

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100506520
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329843
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N'-(2-hydroxybenzoyl)benzohydrazide
CID 36762830
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506108
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide (CID 36702942) is N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is BEMQLNJUHIPJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4/c1-13-16(10-11-29-13)20(27)25-26-21(28)17-4-2-3-5-18(17)22-24-12-19(30-22)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide?
N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 405.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 36702942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).