ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

C19H20N2O4 — CID 11089094

IUPACethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@H](c2ccc(OCc3ccccc3)cn2)[C@H]1C
InChIInChI=1S/C19H20N2O4/c1-3-23-19(22)17-13(2)18(25-21-17)16-10-9-15(11-20-16)24-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m0/s1
InChIKeyXICFGZGEBGHWJK-UGSOOPFHSA-N
MW340.38 g/mol
LogP3.29
Rot. Bonds6

About ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 11089094) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID11089094
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@H](c2ccc(OCc3ccccc3)cn2)[C@H]1C
InChIInChI=1S/C19H20N2O4/c1-3-23-19(22)17-13(2)18(25-21-17)16-10-9-15(11-20-16)24-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m0/s1
InChIKeyXICFGZGEBGHWJK-UGSOOPFHSA-N
XLogP3.29
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 11089094) is ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NO[C@H](c2ccc(OCc3ccccc3)cn2)[C@H]1C.
What is the InChIKey of ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is XICFGZGEBGHWJK-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-23-19(22)17-13(2)18(25-21-17)16-10-9-15(11-20-16)24-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m0/s1.
What are the key properties of ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 11089094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).