N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C21H23N3O3 — CID 24791109

IUPACN-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(C)nc2)on1)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-19(16-8-5-14(2)6-9-16)23-21(25)20-11-18(27-24-20)13-26-17-10-7-15(3)22-12-17/h5-12,19H,4,13H2,1-3H3,(H,23,25)
InChIKeyYLDVAMMDKWVZRC-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.15
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791109) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24791109
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(C)nc2)on1)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-19(16-8-5-14(2)6-9-16)23-21(25)20-11-18(27-24-20)13-26-17-10-7-15(3)22-12-17/h5-12,19H,4,13H2,1-3H3,(H,23,25)
InChIKeyYLDVAMMDKWVZRC-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24791109) is N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1cc(COc2ccc(C)nc2)on1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YLDVAMMDKWVZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-19(16-8-5-14(2)6-9-16)23-21(25)20-11-18(27-24-20)13-26-17-10-7-15(3)22-12-17/h5-12,19H,4,13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).