methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H17NO5 — CID 10356240

IUPACmethyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@H]1[C@H](C)O
InChIInChI=1S/C14H17NO5/c1-8(16)12-11(14(17)19-3)15-13(20-12)9-4-6-10(18-2)7-5-9/h4-8,11-12,16H,1-3H3/t8-,11+,12-/m0/s1
InChIKeyOHWSXJKFDYSSBK-AXTRIDKLSA-N
MW279.29 g/mol
LogP0.76
Rot. Bonds4

About methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 10356240) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID10356240
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@H]1[C@H](C)O
InChIInChI=1S/C14H17NO5/c1-8(16)12-11(14(17)19-3)15-13(20-12)9-4-6-10(18-2)7-5-9/h4-8,11-12,16H,1-3H3/t8-,11+,12-/m0/s1
InChIKeyOHWSXJKFDYSSBK-AXTRIDKLSA-N
XLogP0.76
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
methyl (4R,5R)-2-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10087686
methyl (4R,5S)-2-(4-methoxyphenyl)-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10403226
methyl (4S,5R)-5-(furan-2-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11289607
methyl (4R,5S)-5-(furan-2-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10380113
methyl 5-(1-methylpyrrol-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762781
methyl (4S,5R)-5-(5-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762865
methyl (4S,5S)-5-phenyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15833692
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
CID 58807302
methyl (2R,3R)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14704918
methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 16640411

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 10356240) is methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@H]1[C@H](C)O.
What is the InChIKey of methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is OHWSXJKFDYSSBK-AXTRIDKLSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8(16)12-11(14(17)19-3)15-13(20-12)9-4-6-10(18-2)7-5-9/h4-8,11-12,16H,1-3H3/t8-,11+,12-/m0/s1.
What are the key properties of methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-5-[(1S)-1-hydroxyethyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10356240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).