N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H9FN2O2 — CID 16606648

IUPACN-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)on1
InChIInChI=1S/C11H9FN2O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15)
InChIKeyHZLTUTVWPMOBGN-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.37
Rot. Bonds2

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

N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16606648) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID16606648
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC NameN-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)on1
InChIInChI=1S/C11H9FN2O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15)
InChIKeyHZLTUTVWPMOBGN-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802743

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 16606648) is N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)on1.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HZLTUTVWPMOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H,13,15).
What are the key properties of N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16606648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).