ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate

C16H20N2O5 — CID 23552754

IUPACethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CN=C([C@H](C)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-3-21-15(19)13-9-17-14(23-13)11(2)18-16(20)22-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
InChIKeyLMTVJQPXIAETMQ-WCQYABFASA-N
MW320.34 g/mol
LogP1.66
Rot. Bonds6

About ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate

ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate (PubChem CID 23552754) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
PubChem CID23552754
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Nameethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CN=C([C@H](C)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-3-21-15(19)13-9-17-14(23-13)11(2)18-16(20)22-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
InChIKeyLMTVJQPXIAETMQ-WCQYABFASA-N
XLogP1.66
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
CID 10659854
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
CID 12968116
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
ethyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 54226118
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
benzyl N-[(1S)-1-(6-chloropyridazin-3-yl)ethyl]carbamate
CID 26370266
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate (CID 23552754) is ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate is CCOC(=O)[C@H]1CN=C([C@H](C)NC(=O)OCc2ccccc2)O1.
What is the InChIKey of ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate?
The InChIKey is LMTVJQPXIAETMQ-WCQYABFASA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-21-15(19)13-9-17-14(23-13)11(2)18-16(20)22-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1.
What are the key properties of ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate?
ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 23552754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).