5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide

C10H9FN2O2 — CID 91471062

IUPAC5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
SMILESNC(=O)N1C=CC(c2cccc(F)c2)O1
InChIInChI=1S/C10H9FN2O2/c11-8-3-1-2-7(6-8)9-4-5-13(15-9)10(12)14/h1-6,9H,(H2,12,14)
InChIKeyCGGDQOGJYBZXPC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.71
Rot. Bonds1

About 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide

5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide (PubChem CID 91471062) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
PubChem CID91471062
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide
SMILESNC(=O)N1C=CC(c2cccc(F)c2)O1
InChIInChI=1S/C10H9FN2O2/c11-8-3-1-2-7(6-8)9-4-5-13(15-9)10(12)14/h1-6,9H,(H2,12,14)
InChIKeyCGGDQOGJYBZXPC-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorobenzyl)oxy]urea
CID 1484513
1-Methyl-1-phenylmethoxyurea
CID 130689491
1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
CID 57171016
1-[[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 57240534
N-[(4-fluorophenyl)methoxy]ethenamine
CID 90936944
5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90958648
5-(2,6-Difluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91388658
5-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91543041
1-Ethyl-1-phenylmethoxyurea
CID 134896719
N-[(4-fluorobenzyl)oxy]urea
CID 1484512
1-[(4-Fluorophenyl)methoxy]-3-methylurea
CID 100686133
1-Phenylmethoxy-3-(2,2,2-trifluoroethyl)urea
CID 115582842

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide (CID 91471062) is 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide is NC(=O)N1C=CC(c2cccc(F)c2)O1.
What is the InChIKey of 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide?
The InChIKey is CGGDQOGJYBZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-8-3-1-2-7(6-8)9-4-5-13(15-9)10(12)14/h1-6,9H,(H2,12,14).
What are the key properties of 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide?
5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide has a molecular weight of 208.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5H-1,2-oxazole-2-carboxamide is sourced from PubChem (CID 91471062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).