N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide

C20H16FN3O2 — CID 166229604

IUPACN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)18-12-19(23-26-18)22-20(25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyJWVPAMBSFSRBIX-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.41
Rot. Bonds3

About N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide

N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 166229604) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID166229604
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)18-12-19(23-26-18)22-20(25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyJWVPAMBSFSRBIX-UHFFFAOYSA-N
XLogP4.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 167907588
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108812671
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
(6R)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129347377
2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
CID 154765439
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide
CID 126822367
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
3-[(3-phenyl-2,5-dihydropyrrole-1-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166261115
4-(oxane-4-carbonyl)-N-(5-phenyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 54581476
2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 155951016
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide (CID 166229604) is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide is O=C(Nc1cc(-c2ccccc2F)on1)N1CC=C(c2ccccc2)C1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is JWVPAMBSFSRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)18-12-19(23-26-18)22-20(25)24-11-10-15(13-24)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,23,25).
What are the key properties of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 166229604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).