methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate

C15H13FN2O3 — CID 7390122

IUPACmethyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate
SMILESCOC(=O)C1=C(C)c2onc(N)c2[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c1-7-10(15(19)20-2)11(8-4-3-5-9(16)6-8)12-13(7)21-18-14(12)17/h3-6,11H,1-2H3,(H2,17,18)/t11-/m0/s1
InChIKeyHIVJCCCLDQZPGU-NSHDSACASA-N
MW288.28 g/mol
LogP2.49
Rot. Bonds2

About methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate

methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate (PubChem CID 7390122) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate
PubChem CID7390122
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate
SMILESCOC(=O)C1=C(C)c2onc(N)c2[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c1-7-10(15(19)20-2)11(8-4-3-5-9(16)6-8)12-13(7)21-18-14(12)17/h3-6,11H,1-2H3,(H2,17,18)/t11-/m0/s1
InChIKeyHIVJCCCLDQZPGU-NSHDSACASA-N
XLogP2.49
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-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

4-(3-fluorophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 11722627
propan-2-yl 6-amino-5-cyano-4-(3-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3156182
dimethyl 1-cyclohexyl-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295812
dimethyl 4-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4692682
methyl (6R)-6-(3-fluorophenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 9449148
methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361
methyl 3-fluorobenzoate
CID 521184
[3-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]boronic acid
CID 56839786
dimethyl 2,6-dimethyl-4-(3-trimethylsilylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 15040763
dimethyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11645365
(3-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215010
methyl 7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2979271

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate?
The IUPAC name of methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate (CID 7390122) is methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate.
What is the SMILES notation for methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate?
The canonical SMILES for methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate is COC(=O)C1=C(C)c2onc(N)c2[C@H]1c1cccc(F)c1.
What is the InChIKey of methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate?
The InChIKey is HIVJCCCLDQZPGU-NSHDSACASA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-7-10(15(19)20-2)11(8-4-3-5-9(16)6-8)12-13(7)21-18-14(12)17/h3-6,11H,1-2H3,(H2,17,18)/t11-/m0/s1.
What are the key properties of methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate?
methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-amino-4-(3-fluorophenyl)-6-methyl-4H-cyclopenta[d][1,2]oxazole-5-carboxylate is sourced from PubChem (CID 7390122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).