N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide

C14H15FN2O3 — CID 87043600

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H15FN2O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyCUWPKJJOJKTUNH-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.37
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 87043600) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide
PubChem CID87043600
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H15FN2O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyCUWPKJJOJKTUNH-UHFFFAOYSA-N
XLogP2.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide (CID 87043600) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is CUWPKJJOJKTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 278.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 87043600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).