methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate

C22H19NO5 — CID 139038429

IUPACmethyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate
SMILESCOC(=O)c1cc(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)oc1C
InChIInChI=1S/C22H19NO5/c1-14-17(21(24)26-2)13-18(27-14)23-19(15-9-5-3-6-10-15)20(28-22(23)25)16-11-7-4-8-12-16/h3-13,19-20H,1-2H3/t19-,20+/m1/s1
InChIKeyDLSDXPCPQJILFL-UXHICEINSA-N
MW377.40 g/mol
LogP4.81
Rot. Bonds4

About methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate

methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate (PubChem CID 139038429) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate
PubChem CID139038429
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate
SMILESCOC(=O)c1cc(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)oc1C
InChIInChI=1S/C22H19NO5/c1-14-17(21(24)26-2)13-18(27-14)23-19(15-9-5-3-6-10-15)20(28-22(23)25)16-11-7-4-8-12-16/h3-13,19-20H,1-2H3/t19-,20+/m1/s1
InChIKeyDLSDXPCPQJILFL-UXHICEINSA-N
XLogP4.81
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
methyl (2R,3R)-2-(hydroxymethyl)-3-phenyl-7-propanoyl-2,3-dihydro-1-benzofuran-5-carboxylate;methyl (2S,3S)-2-(hydroxymethyl)-3-phenyl-7-propanoyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 158814227
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
(4R,5S)-4,5-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10690444
methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 32610028
methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
CID 124504957
methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 24562418

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate (CID 139038429) is methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate is COC(=O)c1cc(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate?
The InChIKey is DLSDXPCPQJILFL-UXHICEINSA-N. The full InChI is InChI=1S/C22H19NO5/c1-14-17(21(24)26-2)13-18(27-14)23-19(15-9-5-3-6-10-15)20(28-22(23)25)16-11-7-4-8-12-16/h3-13,19-20H,1-2H3/t19-,20+/m1/s1.
What are the key properties of methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate?
methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate is sourced from PubChem (CID 139038429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).