phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate

C18H15NO5 — CID 101263641

IUPACphenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
SMILESCOc1ccc(C2=N[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C18H15NO5/c1-18(16(20)23-14-6-4-3-5-7-14)17(21)24-15(19-18)12-8-10-13(22-2)11-9-12/h3-11H,1-2H3/t18-/m1/s1
InChIKeyUVQAQBGBVZIMFN-GOSISDBHSA-N
MW325.32 g/mol
LogP2.36
Rot. Bonds4

About phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate

phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate (PubChem CID 101263641) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namephenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
PubChem CID101263641
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Namephenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
SMILESCOc1ccc(C2=N[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C18H15NO5/c1-18(16(20)23-14-6-4-3-5-7-14)17(21)24-15(19-18)12-8-10-13(22-2)11-9-12/h3-11H,1-2H3/t18-/m1/s1
InChIKeyUVQAQBGBVZIMFN-GOSISDBHSA-N
XLogP2.36
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513
phenyl (4S)-2-(4-methoxyphenyl)-5-oxo-4-[(4-phenoxycarbonyloxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 102473354
phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
CID 101389682
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
naphthalen-1-yl 2-(4-methoxyphenyl)-4-[(4-naphthalen-1-yloxycarbonyloxyphenyl)methyl]-5-oxo-1,3-oxazole-4-carboxylate
CID 53468965
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 155929407
prop-2-enyl (4S)-2-(4-methoxyphenyl)-4-(2-methylpropyl)-5-oxo-1,3-oxazole-4-carboxylate
CID 53474427
benzyl (E)-4-[(4R)-2-(4-methoxyphenyl)-4-(2-methylpropyl)-5-oxo-1,3-oxazol-4-yl]but-2-enoate
CID 132508808
phenyl (3R)-3-methyl-2-oxo-1-benzofuran-3-carboxylate
CID 101389680
(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole
CID 14115752
2-(4-methoxyphenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488949

Frequently Asked Questions

What is the IUPAC name of phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate?
The IUPAC name of phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate (CID 101263641) is phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate.
What is the SMILES notation for phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate?
The canonical SMILES for phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate is COc1ccc(C2=N[C@](C)(C(=O)Oc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate?
The InChIKey is UVQAQBGBVZIMFN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15NO5/c1-18(16(20)23-14-6-4-3-5-7-14)17(21)24-15(19-18)12-8-10-13(22-2)11-9-12/h3-11H,1-2H3/t18-/m1/s1.
What are the key properties of phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate?
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 101263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).