3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C18H17FN2O3 — CID 91945847

IUPAC3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CC(c3ccccc3F)=NO2)cc1
InChIInChI=1S/C18H17FN2O3/c1-18(17(22)20-12-7-9-13(23-2)10-8-12)11-16(21-24-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMSSFFDAPELRYSY-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91945847) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID91945847
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CC(c3ccccc3F)=NO2)cc1
InChIInChI=1S/C18H17FN2O3/c1-18(17(22)20-12-7-9-13(23-2)10-8-12)11-16(21-24-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMSSFFDAPELRYSY-UHFFFAOYSA-N
XLogP3.36
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
CID 46979789
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498730
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
(5S)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613682
3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 46977659
(5R)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613681
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 91945847) is 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)C2(C)CC(c3ccccc3F)=NO2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is MSSFFDAPELRYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-18(17(22)20-12-7-9-13(23-2)10-8-12)11-16(21-24-18)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91945847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).