N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C19H14FN3O4 — CID 90503238

IUPACN-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H14FN3O4/c20-14-7-6-13(10-15(14)23(25)26)21-18(24)19(8-9-19)17-11-16(27-22-17)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyJZHHWSBAPMNGSN-UHFFFAOYSA-N
MW367.34 g/mol
LogP4.06
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503238) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90503238
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H14FN3O4/c20-14-7-6-13(10-15(14)23(25)26)21-18(24)19(8-9-19)17-11-16(27-22-17)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyJZHHWSBAPMNGSN-UHFFFAOYSA-N
XLogP4.06
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503198
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90504477
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503347
N-(3-chloro-4-fluorophenyl)-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504125
N-(2-ethoxyphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503191
N-(4-cyanophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503631
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 90503646

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503238) is N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JZHHWSBAPMNGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c20-14-7-6-13(10-15(14)23(25)26)21-18(24)19(8-9-19)17-11-16(27-22-17)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).