ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C19H23N3O5 — CID 164641844

IUPACethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O5/c1-3-26-18(24)17-16(21-19(25)22-17)15-10-13(20-11(2)23)9-14(27-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-10H2,1-2H3,(H,20,23)(H2,21,22,25)/t13-,14-,15+/m0/s1
InChIKeyZXLFSZFRCQZDNM-SOUVJXGZSA-N
MW373.41 g/mol
LogP1.98
Rot. Bonds5

About ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 164641844) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID164641844
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O5/c1-3-26-18(24)17-16(21-19(25)22-17)15-10-13(20-11(2)23)9-14(27-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-10H2,1-2H3,(H,20,23)(H2,21,22,25)/t13-,14-,15+/m0/s1
InChIKeyZXLFSZFRCQZDNM-SOUVJXGZSA-N
XLogP1.98
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 164641844) is ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is ZXLFSZFRCQZDNM-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-26-18(24)17-16(21-19(25)22-17)15-10-13(20-11(2)23)9-14(27-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-10H2,1-2H3,(H,20,23)(H2,21,22,25)/t13-,14-,15+/m0/s1.
What are the key properties of ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 164641844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).