3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide

C14H16N2O3 — CID 75455127

IUPAC3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCc2cccc(C)c2)on1
InChIInChI=1S/C14H16N2O3/c1-10-4-3-5-11(8-10)6-7-15-14(17)12-9-13(18-2)16-19-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyMOVHSELTYILCJM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.96
Rot. Bonds5

About 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 75455127) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID75455127
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCc2cccc(C)c2)on1
InChIInChI=1S/C14H16N2O3/c1-10-4-3-5-11(8-10)6-7-15-14(17)12-9-13(18-2)16-19-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyMOVHSELTYILCJM-UHFFFAOYSA-N
XLogP1.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide (CID 75455127) is 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCCc2cccc(C)c2)on1.
What is the InChIKey of 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MOVHSELTYILCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-4-3-5-11(8-10)6-7-15-14(17)12-9-13(18-2)16-19-12/h3-5,8-9H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methylphenyl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75455127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).