methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

C16H20N2O4 — CID 20955289

IUPACmethyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOCCNCc1nc(-c2ccc(C(=O)OC)cc2)oc1C
InChIInChI=1S/C16H20N2O4/c1-11-14(10-17-8-9-20-2)18-15(22-11)12-4-6-13(7-5-12)16(19)21-3/h4-7,17H,8-10H2,1-3H3
InChIKeyJCMSHQJLHDNEDR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.17
Rot. Bonds7

About methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (PubChem CID 20955289) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
PubChem CID20955289
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOCCNCc1nc(-c2ccc(C(=O)OC)cc2)oc1C
InChIInChI=1S/C16H20N2O4/c1-11-14(10-17-8-9-20-2)18-15(22-11)12-4-6-13(7-5-12)16(19)21-3/h4-7,17H,8-10H2,1-3H3
InChIKeyJCMSHQJLHDNEDR-UHFFFAOYSA-N
XLogP2.17
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (CID 20955289) is methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is COCCNCc1nc(-c2ccc(C(=O)OC)cc2)oc1C.
What is the InChIKey of methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The InChIKey is JCMSHQJLHDNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-14(10-17-8-9-20-2)18-15(22-11)12-4-6-13(7-5-12)16(19)21-3/h4-7,17H,8-10H2,1-3H3.
What are the key properties of methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate has a molecular weight of 304.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 20955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).