methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate

C22H27N3O7 — CID 11476312

IUPACmethyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate
SMILESC=C(C)c1nc(-c2nc(C(=O)OC)ccc2C(=O)N[C@@H](COC(C)(C)C)C(=O)OC)co1
InChIInChI=1S/C22H27N3O7/c1-12(2)19-25-15(10-31-19)17-13(8-9-14(23-17)20(27)29-6)18(26)24-16(21(28)30-7)11-32-22(3,4)5/h8-10,16H,1,11H2,2-7H3,(H,24,26)/t16-/m0/s1
InChIKeyBHSHDASMVHWCIY-INIZCTEOSA-N
MW445.47 g/mol
LogP2.64
Rot. Bonds8

About methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate

methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate (PubChem CID 11476312) has the molecular formula C22H27N3O7 and a molecular weight of 445.47 g/mol. Its IUPAC name is methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate
PubChem CID11476312
Molecular FormulaC22H27N3O7
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Namemethyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate
SMILESC=C(C)c1nc(-c2nc(C(=O)OC)ccc2C(=O)N[C@@H](COC(C)(C)C)C(=O)OC)co1
InChIInChI=1S/C22H27N3O7/c1-12(2)19-25-15(10-31-19)17-13(8-9-14(23-17)20(27)29-6)18(26)24-16(21(28)30-7)11-32-22(3,4)5/h8-10,16H,1,11H2,2-7H3,(H,24,26)/t16-/m0/s1
InChIKeyBHSHDASMVHWCIY-INIZCTEOSA-N
XLogP2.64
TPSA129.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate (CID 11476312) is methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate is C=C(C)c1nc(-c2nc(C(=O)OC)ccc2C(=O)N[C@@H](COC(C)(C)C)C(=O)OC)co1.
What is the InChIKey of methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
The InChIKey is BHSHDASMVHWCIY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O7/c1-12(2)19-25-15(10-31-19)17-13(8-9-14(23-17)20(27)29-6)18(26)24-16(21(28)30-7)11-32-22(3,4)5/h8-10,16H,1,11H2,2-7H3,(H,24,26)/t16-/m0/s1.
What are the key properties of methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate?
methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate has a molecular weight of 445.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-6-(2-prop-1-en-2-yl-1,3-oxazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 11476312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).