methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate

C14H17NO3 — CID 10966829

IUPACmethyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(C(C)C)N=CO[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)14(13(16)17-3)12(18-9-15-14)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t12-,14-/m1/s1
InChIKeyMAHXKBCHLXDRJY-TZMCWYRMSA-N
MW247.29 g/mol
LogP2.35
Rot. Bonds3

About methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate

methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate (PubChem CID 10966829) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
PubChem CID10966829
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(C(C)C)N=CO[C@@H]1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)14(13(16)17-3)12(18-9-15-14)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t12-,14-/m1/s1
InChIKeyMAHXKBCHLXDRJY-TZMCWYRMSA-N
XLogP2.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-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

tetramethyl 2-phenyl-2H-furan-3,4,5,5-tetracarboxylate
CID 12820172
trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
CID 102019751
dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 10043756
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 570115
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 571094
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 12010021
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
CID 10944376
(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
CID 100919670
methyl (4S,5S)-2,5-diphenyl-4-[(4-propan-2-ylphenyl)methyl]-5H-1,3-oxazole-4-carboxylate
CID 130327798
dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate
CID 101161340

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate (CID 10966829) is methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate is COC(=O)[C@]1(C(C)C)N=CO[C@@H]1c1ccccc1.
What is the InChIKey of methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is MAHXKBCHLXDRJY-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)14(13(16)17-3)12(18-9-15-14)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t12-,14-/m1/s1.
What are the key properties of methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate?
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10966829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).