N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C19H18FN3O3 — CID 24791480

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cc(F)ccc3C)no2)cn1
InChIInChI=1S/C19H18FN3O3/c1-12-3-5-15(20)7-14(12)9-22-19(24)18-8-17(26-23-18)11-25-16-6-4-13(2)21-10-16/h3-8,10H,9,11H2,1-2H3,(H,22,24)
InChIKeyBGRWNYJHNUMJBC-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.33
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791480) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24791480
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cc(F)ccc3C)no2)cn1
InChIInChI=1S/C19H18FN3O3/c1-12-3-5-15(20)7-14(12)9-22-19(24)18-8-17(26-23-18)11-25-16-6-4-13(2)21-10-16/h3-8,10H,9,11H2,1-2H3,(H,22,24)
InChIKeyBGRWNYJHNUMJBC-UHFFFAOYSA-N
XLogP3.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24791480) is N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCc3cc(F)ccc3C)no2)cn1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BGRWNYJHNUMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-3-5-15(20)7-14(12)9-22-19(24)18-8-17(26-23-18)11-25-16-6-4-13(2)21-10-16/h3-8,10H,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).