N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

C20H16FN3O3 — CID 86922647

IUPACN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16FN3O3/c21-15-8-6-14(7-9-15)20(10-11-20)19(26)23-22-18(25)16-12-17(27-24-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,25)(H,23,26)
InChIKeyNYKLMJHBKVVJFZ-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.97
Rot. Bonds4

About N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 86922647) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID86922647
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC NameN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16FN3O3/c21-15-8-6-14(7-9-15)20(10-11-20)19(26)23-22-18(25)16-12-17(27-24-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,25)(H,23,26)
InChIKeyNYKLMJHBKVVJFZ-UHFFFAOYSA-N
XLogP2.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 55558621
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 75427047
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 34592077
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 163598398

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 86922647) is N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is NYKLMJHBKVVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-15-8-6-14(7-9-15)20(10-11-20)19(26)23-22-18(25)16-12-17(27-24-16)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 365.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 86922647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).