(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C11H10NO4- — CID 6966211

IUPAC(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOc1ccccc1C1=NO[C@H](C(=O)[O-])C1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)/p-1/t10-/m0/s1
InChIKeyDZQPCQZVKAAAJK-JTQLQIEISA-M
MW220.20 g/mol
LogP-0.06
Rot. Bonds3

About (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 6966211) has the molecular formula C11H10NO4- and a molecular weight of 220.20 g/mol. Its IUPAC name is (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID6966211
Molecular FormulaC11H10NO4-
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOc1ccccc1C1=NO[C@H](C(=O)[O-])C1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)/p-1/t10-/m0/s1
InChIKeyDZQPCQZVKAAAJK-JTQLQIEISA-M
XLogP-0.06
TPSA70.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 6966211) is (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COc1ccccc1C1=NO[C@H](C(=O)[O-])C1.
What is the InChIKey of (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is DZQPCQZVKAAAJK-JTQLQIEISA-M. The full InChI is InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)/p-1/t10-/m0/s1.
What are the key properties of (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 220.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 6966211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).