methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate

C16H16N2O5 — CID 122570211

IUPACmethyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(C(=O)NCc2cc(C3CC3)on2)c1
InChIInChI=1S/C16H16N2O5/c1-22-16(21)11-4-10(5-13(19)6-11)15(20)17-8-12-7-14(23-18-12)9-2-3-9/h4-7,9,19H,2-3,8H2,1H3,(H,17,20)
InChIKeyMOYKZQARSJJIJO-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.97
Rot. Bonds5

About methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate

methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate (PubChem CID 122570211) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
PubChem CID122570211
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(C(=O)NCc2cc(C3CC3)on2)c1
InChIInChI=1S/C16H16N2O5/c1-22-16(21)11-4-10(5-13(19)6-11)15(20)17-8-12-7-14(23-18-12)9-2-3-9/h4-7,9,19H,2-3,8H2,1H3,(H,17,20)
InChIKeyMOYKZQARSJJIJO-UHFFFAOYSA-N
XLogP1.97
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate?
The IUPAC name of methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate (CID 122570211) is methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate?
The canonical SMILES for methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate is COC(=O)c1cc(O)cc(C(=O)NCc2cc(C3CC3)on2)c1.
What is the InChIKey of methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate?
The InChIKey is MOYKZQARSJJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-16(21)11-4-10(5-13(19)6-11)15(20)17-8-12-7-14(23-18-12)9-2-3-9/h4-7,9,19H,2-3,8H2,1H3,(H,17,20).
What are the key properties of methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate?
methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate has a molecular weight of 316.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate is sourced from PubChem (CID 122570211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).