methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C15H16N2O3 — CID 139770444

IUPACmethyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c1CC(c1nocc1N)CC2
InChIInChI=1S/C15H16N2O3/c1-19-15(18)11-4-2-3-9-5-6-10(7-12(9)11)14-13(16)8-20-17-14/h2-4,8,10H,5-7,16H2,1H3
InChIKeyMROHWEFBHFCHQH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.32
Rot. Bonds2

About methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 139770444) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID139770444
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c1CC(c1nocc1N)CC2
InChIInChI=1S/C15H16N2O3/c1-19-15(18)11-4-2-3-9-5-6-10(7-12(9)11)14-13(16)8-20-17-14/h2-4,8,10H,5-7,16H2,1H3
InChIKeyMROHWEFBHFCHQH-UHFFFAOYSA-N
XLogP2.32
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 139770444) is methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is COC(=O)c1cccc2c1CC(c1nocc1N)CC2.
What is the InChIKey of methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is MROHWEFBHFCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-15(18)11-4-2-3-9-5-6-10(7-12(9)11)14-13(16)8-20-17-14/h2-4,8,10H,5-7,16H2,1H3.
What are the key properties of methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 139770444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).